N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-3-propoxy-benzamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-3-propoxy-benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-propoxy-benzamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-3-propoxybenzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-propoxybenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-propoxy-benzamide Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-2-19-32-26-10-6-9-23(20-26)27(31)28-24-11-13-25(14-12-24)30-17-15-29(16-18-30)21-22-7-4-3-5-8-22/h3-14,20H,2,15-19,21H2,1H3,(H,28,31)/p+1