5-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-yl-benzamide CAS Name: 5-nitro-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-nitro-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2-pyrrolidino-benzamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C23H28N4O3/c28-23(21-15-20(27(29)30)9-10-22(21)26-13-5-6-14-26)24-16-18-7-1-2-8-19(18)17-25-11-3-4-12-25/h1-2,7-10,15H,3-6,11-14,16-17H2,(H,24,28)/p+1