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

Systemtic Name: N-(4-butylphenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-butylphenyl)acetamide CAS Name: N-(4-butylphenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-butylphenyl)acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-butylphenyl)acetamide Formula: C23H33N3O+2 MolecularWeight: 367.52762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O/c1-2-3-7-20-10-12-22(13-11-20)24-23(27)19-26-16-14-25(15-17-26)18-21-8-5-4-6-9-21/h4-6,8-13H,2-3,7,14-19H2,1H3,(H,24,27)/p+2