3-methyl-4-oxidanylidene-2-phenyl-N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]chromene-8-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-2-phenyl-N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]chromene-8-carboxamide Openeye Name: 3-methyl-N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]-4-oxo-2-phenyl-chromene-8-carboxamide CAS Name: 3-methyl-4-oxo-2-phenyl-N-[(2R)-4-(4-phenyl-1-piperazin-1-iumyl)butan-2-yl]-1-benzopyran-8-carboxamide IUPAC Name: 3-methyl-4-oxo-2-phenyl-N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]chromene-8-carboxamide Traditional Name: 4-keto-3-methyl-N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]-2-phenyl-chromene-8-carboxamide Formula: C31H34N3O3+ MolecularWeight: 496.61996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NC(C)CC[NH+]3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N[C@H](C)CC[NH+]3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N3O3/c1-22(16-17-33-18-20-34(21-19-33)25-12-7-4-8-13-25)32-31(36)27-15-9-14-26-28(35)23(2)29(37-30(26)27)24-10-5-3-6-11-24/h3-15,22H,16-21H2,1-2H3,(H,32,36)/p+1/t22-/m1/s1