(2S)-N-(ethylcarbamoyl)-2-phenyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(ethylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(ethylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(ethylcarbamoyl)-2-phenyl-acetamide Formula: C22H30N4O2+2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2/c1-2-23-22(28)24-21(27)20(19-11-7-4-8-12-19)26-15-13-25(14-16-26)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3,(H2,23,24,27,28)/p+2/t20-/m0/s1