methanesulfonic acid; N-[3-[4-(2-methoxyphenyl)-1-oxidanyl-piperazin-1-ium-1-yl]propyl]-3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxamide

Systemtic Name: methanesulfonic acid; N-[3-[4-(2-methoxyphenyl)-1-oxidanyl-piperazin-1-ium-1-yl]propyl]-3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxamide Openeye Name: N-[3-[1-hydroxy-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-4-oxo-2-phenyl-chromene-8-carboxamide; methanesulfonic acid CAS Name: N-[3-[1-hydroxy-4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxamide; methanesulfonic acid IUPAC Name: N-[3-[1-hydroxy-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide; methanesulfonic acid Traditional Name: N-[3-[1-hydroxy-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-4-keto-3-methyl-2-phenyl-chromene-8-carboxamide; mesylic acid Formula: C32H38N3O8S+ MolecularWeight: 624.72442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NCCC[N+]3(CCN(CC3)C4=CC=CC=C4OC)O)C5=CC=CC=C5.CS(=O)(=O)O

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NCCC[N+]3(CCN(CC3)C4=CC=CC=C4OC)O)C5=CC=CC=C5.CS(=O)(=O)O

InChI

InChI=1S/C31H33N3O5.CH4O3S/c1-22-28(35)24-12-8-13-25(30(24)39-29(22)23-10-4-3-5-11-23)31(36)32-16-9-19-34(37)20-17-33(18-21-34)26-14-6-7-15-27(26)38-2;1-5(2,3)4/h3-8,10-15,37H,9,16-21H2,1-2H3;1H3,(H,2,3,4)/p+1