N-(3,4-dimethoxyphenyl)-2-[5-methoxy-4-oxidanylidene-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridin-1-yl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[5-methoxy-4-oxidanylidene-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridin-1-yl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-pyridyl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[5-methoxy-4-oxo-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-pyridinyl]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridin-1-yl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[4-keto-5-methoxy-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-pyridyl]acetamide Formula: C27H33N4O5+ MolecularWeight: 493.57472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCN(CC3)C4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCN(CC3)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H32N4O5/c1-34-24-10-9-20(15-25(24)35-2)28-27(33)19-31-18-26(36-3)23(32)16-22(31)17-29-11-13-30(14-12-29)21-7-5-4-6-8-21/h4-10,15-16,18H,11-14,17,19H2,1-3H3,(H,28,33)/p+1