(3R)-1-ethanoyl-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-ethanoyl-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]piperidine-3-carboxamide Openeye Name: (3R)-1-acetyl-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]piperidine-3-carboxamide CAS Name: (3R)-1-acetyl-N-[3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-acetyl-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propyl]piperidine-3-carboxamide Traditional Name: (3R)-1-acetyl-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]nipecotamide Formula: C22H36N4O2+2 MolecularWeight: 388.54684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC(C1)C(=O)NCCC[NH+]2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CC(=O)N1CCC[C@H](C1)C(=O)NCCC[NH+]2CC[NH+](C[C@@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C22H34N4O2/c1-18(27)26-12-6-10-20(16-26)22(28)23-11-7-13-25-15-14-24(2)17-21(25)19-8-4-3-5-9-19/h3-5,8-9,20-21H,6-7,10-17H2,1-2H3,(H,23,28)/p+2/t20-,21-/m1/s1