3,4,5-trimethoxy-2-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-2-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3,4,5-trimethoxy-2-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3,4,5-trimethoxy-2-nitro-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3,4,5-trimethoxy-2-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3,4,5-trimethoxy-2-nitro-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H28N3O6+ MolecularWeight: 430.47422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H27N3O6/c1-29-18-12-17(19(25(27)28)21(31-3)20(18)30-2)22(26)23-13-15-8-4-5-9-16(15)14-24-10-6-7-11-24/h4-5,8-9,12H,6-7,10-11,13-14H2,1-3H3,(H,23,26)/p+1