N-[(2S)-butan-2-yl]-2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-[(2S)-butan-2-yl]acetamide Traditional Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-[(1S)-1-methylpropyl]acetamide Formula: C23H33N3O+2 MolecularWeight: 367.52762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH+]1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O/c1-3-19(2)24-22(27)18-25-14-16-26(17-15-25)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,23H,3,14-18H2,1-2H3,(H,24,27)/p+2/t19-/m0/s1