N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxamide

Systemtic Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxamide Openeye Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1-oxo-4-(p-tolyl)isochromene-3-carboxamide CAS Name: N-[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-4-(4-methylphenyl)-1-oxo-2-benzopyran-3-carboxamide IUPAC Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide Traditional Name: 1-keto-N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-(p-tolyl)isochromene-3-carboxamide Formula: C30H32N3O4+ MolecularWeight: 498.59278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NCC[NH+]4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NCC[NH+]4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H31N3O4/c1-21-7-9-22(10-8-21)27-25-5-3-4-6-26(25)30(35)37-28(27)29(34)31-15-16-32-17-19-33(20-18-32)23-11-13-24(36-2)14-12-23/h3-14H,15-20H2,1-2H3,(H,31,34)/p+1