N-(3-methoxyphenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(3-methoxyphenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-methoxyphenyl)propanamide CAS Name: N-(3-methoxyphenyl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-methoxyphenyl)propanamide Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-methoxyphenyl)propionamide Formula: C21H29N3O2+2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CC[NH+]2CC[NH+](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+2