3-methyl-2-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3-methyl-2-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-methyl-2-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-methyl-2-nitro-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-methyl-2-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-methyl-2-nitro-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C20H24N3O3+ MolecularWeight: 354.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C20H23N3O3/c1-15-5-4-6-18(19(15)23(25)26)20(24)21-13-16-7-9-17(10-8-16)14-22-11-2-3-12-22/h4-10H,2-3,11-14H2,1H3,(H,21,24)/p+1