N-(3-ethylphenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(3-ethylphenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-ethylphenyl)acetamide CAS Name: N-(3-ethylphenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-ethylphenyl)acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-ethylphenyl)acetamide Formula: C21H29N3O+2 MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-2-18-9-6-10-20(15-18)22-21(25)17-24-13-11-23(12-14-24)16-19-7-4-3-5-8-19/h3-10,15H,2,11-14,16-17H2,1H3,(H,22,25)/p+2