4-[(3,5-dimethoxyphenyl)carbonylamino]-2-oxidanyl-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzamide

Systemtic Name: 4-[(3,5-dimethoxyphenyl)carbonylamino]-2-oxidanyl-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzamide Openeye Name: 4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxy-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzamide CAS Name: 4-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-2-hydroxy-N-[3-(4-phenyl-1-piperazin-1-iumyl)propyl]benzamide IUPAC Name: 4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxy-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzamide Traditional Name: 4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxy-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzamide Formula: C29H35N4O5+ MolecularWeight: 519.612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)C(=O)NCCC[NH+]3CCN(CC3)C4=CC=CC=C4)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)C(=O)NCCC[NH+]3CCN(CC3)C4=CC=CC=C4)O)OC

InChI

InChI=1S/C29H34N4O5/c1-37-24-17-21(18-25(20-24)38-2)28(35)31-22-9-10-26(27(34)19-22)29(36)30-11-6-12-32-13-15-33(16-14-32)23-7-4-3-5-8-23/h3-5,7-10,17-20,34H,6,11-16H2,1-2H3,(H,30,36)(H,31,35)/p+1