3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-4-pyrrolidino-benzamide Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O3/c29-24(21-10-11-22(23(16-21)28(30)31)27-14-4-5-15-27)25-17-19-6-8-20(9-7-19)18-26-12-2-1-3-13-26/h6-11,16H,1-5,12-15,17-18H2,(H,25,29)/p+1