N-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2-(phenoxymethyl)benzamide

Systemtic Name: N-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2-(phenoxymethyl)benzamide Openeye Name: N-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2-(phenoxymethyl)benzamide CAS Name: N-[[4-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]methyl]-2-(phenoxymethyl)benzamide IUPAC Name: N-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2-(phenoxymethyl)benzamide Traditional Name: N-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzyl]-2-(phenoxymethyl)benzamide Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3COC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3COC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-29-15-17-30(18-16-29)20-23-13-11-22(12-14-23)19-28-27(31)26-10-6-5-7-24(26)21-32-25-8-3-2-4-9-25/h2-14H,15-21H2,1H3,(H,28,31)/p+1