(2S)-2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methylpropyl)propanamide

Systemtic Name: (2S)-2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methylpropyl)propanamide Openeye Name: (2S)-2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-isobutyl-propanamide CAS Name: (2S)-2-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-methylpropyl)propanamide IUPAC Name: (2S)-2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide Traditional Name: (2S)-2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-isobutyl-propionamide Formula: C24H35N3O+2 MolecularWeight: 381.5542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O/c1-19(2)18-25-24(28)20(3)26-14-16-27(17-15-26)23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,19-20,23H,14-18H2,1-3H3,(H,25,28)/p+2/t20-/m0/s1