4-(4-ethanoylphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide

Systemtic Name: 4-(4-ethanoylphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide Openeye Name: 4-(4-acetylphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide CAS Name: 4-(4-acetylphenyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-acetylphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide Traditional Name: 4-(4-acetylphenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]piperazine-1-carboxamide Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C25H32N4O2/c1-20(30)23-8-10-24(11-9-23)28-14-16-29(17-15-28)25(31)26-18-21-4-6-22(7-5-21)19-27-12-2-3-13-27/h4-11H,2-3,12-19H2,1H3,(H,26,31)/p+1