N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide

Systemtic Name: N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-(3-methoxyphenyl)-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzamide IUPAC Name: N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O2/c1-30-24-9-5-6-22(18-24)26-25(29)21-12-10-20(11-13-21)19-27-14-16-28(17-15-27)23-7-3-2-4-8-23/h2-13,18H,14-17,19H2,1H3,(H,26,29)/p+1