N-(3-methoxyphenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-methoxyphenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(3-methoxyphenyl)propanamide CAS Name: N-(3-methoxyphenyl)-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(3-methoxyphenyl)propanamide Traditional Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(3-methoxyphenyl)propionamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CC[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CC[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-26-20-9-5-8-19(16-20)22-21(25)10-11-23-12-14-24(15-13-23)17-18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3,(H,22,25)/p+1