N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide Formula: C23H31N3O2+2 MolecularWeight: 381.51114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-19(27)22(16-20-8-4-2-5-9-20)24-23(28)18-26-14-12-25(13-15-26)17-21-10-6-3-7-11-21/h2-11,22H,12-18H2,1H3,(H,24,28)/p+2/t22-/m0/s1