N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-homoveratryl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C28H34N3O3+ MolecularWeight: 460.58786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O3/c1-33-26-13-10-22(20-27(26)34-2)14-15-29-28(32)24-11-8-23(9-12-24)21-30-16-18-31(19-17-30)25-6-4-3-5-7-25/h3-13,20H,14-19,21H2,1-2H3,(H,29,32)/p+1