1-methyl-4-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrrole-2-carboxamide Openeye Name: 1-methyl-4-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrrole-2-carboxamide CAS Name: 1-methyl-4-nitro-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrrole-2-carboxamide Traditional Name: 1-methyl-4-nitro-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]pyrrole-2-carboxamide Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3/c1-20-13-16(22(24)25)10-17(20)18(23)19-11-14-6-2-3-7-15(14)12-21-8-4-5-9-21/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3,(H,19,23)/p+1