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

Systemtic Name: (2S)-N-(2-methylpropyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-isobutyl-propanamide CAS Name: (2S)-N-(2-methylpropyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide Traditional Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-isobutyl-propionamide Formula: C18H31N3O+2 MolecularWeight: 305.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)[NH+]1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)[NH+]1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H29N3O/c1-15(2)13-19-18(22)16(3)21-11-9-20(10-12-21)14-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,19,22)/p+2/t16-/m0/s1