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

Systemtic Name: N-[(2,3-dimethylphenyl)carbamoyl]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide CAS Name: N-[(2,3-dimethylanilino)-oxomethyl]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide Formula: C22H30N4O2+2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N4O2/c1-17-7-6-10-20(18(17)2)23-22(28)24-21(27)16-26-13-11-25(12-14-26)15-19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3,(H2,23,24,27,28)/p+2