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

Systemtic Name: methanesulfonic acid; 4-(2-methoxyphenyl)-1-[3-[(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)amino]propyl]piperazin-1-ium-1-carboxamide Openeye Name: methanesulfonic acid; 4-(2-methoxyphenyl)-1-[3-[(3-methyl-4-oxo-2-phenyl-chromen-8-yl)amino]propyl]piperazin-1-ium-1-carboxamide CAS Name: methanesulfonic acid; 4-(2-methoxyphenyl)-1-[3-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)amino]propyl]-1-piperazin-1-iumcarboxamide IUPAC Name: methanesulfonic acid; 4-(2-methoxyphenyl)-1-[3-[(3-methyl-4-oxo-2-phenylchromen-8-yl)amino]propyl]piperazin-1-ium-1-carboxamide Traditional Name: 1-[3-[(4-keto-3-methyl-2-phenyl-chromen-8-yl)amino]propyl]-4-(2-methoxyphenyl)piperazin-1-ium-1-carboxamide; mesylic acid Formula: C32H39N4O7S+ MolecularWeight: 623.73966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2NCCC[N+]3(CCN(CC3)C4=CC=CC=C4OC)C(=O)N)C5=CC=CC=C5.CS(=O)(=O)O

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2NCCC[N+]3(CCN(CC3)C4=CC=CC=C4OC)C(=O)N)C5=CC=CC=C5.CS(=O)(=O)O

InChI

InChI=1S/C31H34N4O4.CH4O3S/c1-22-28(36)24-12-8-13-25(30(24)39-29(22)23-10-4-3-5-11-23)33-16-9-19-35(31(32)37)20-17-34(18-21-35)26-14-6-7-15-27(26)38-2;1-5(2,3)4/h3-8,10-15,33H,9,16-21H2,1-2H3,(H-,32,37);1H3,(H,2,3,4)/p+1