3-methoxy-N-[2-[4-(3-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: 3-methoxy-N-[2-[4-(3-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: 3-methoxy-N-[2-[4-(3-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]benzamide CAS Name: 3-methoxy-N-[2-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 3-methoxy-N-[2-[4-(3-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]benzamide Traditional Name: N-[2-(4-m-anisoylpiperazin-1-ium-1-yl)ethyl]-3-methoxy-benzamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H27N3O4/c1-28-19-7-3-5-17(15-19)21(26)23-9-10-24-11-13-25(14-12-24)22(27)18-6-4-8-20(16-18)29-2/h3-8,15-16H,9-14H2,1-2H3,(H,23,26)/p+1