4,5-dimethoxy-2-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4,5-dimethoxy-2-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4,5-dimethoxy-2-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCC(C2=CC=CC=C2)[NH+]3CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC[C@@H](C2=CC=CC=C2)[NH+]3CCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O5/c1-28-19-12-16(17(24(26)27)13-20(19)29-2)21(25)22-14-18(23-10-6-7-11-23)15-8-4-3-5-9-15/h3-5,8-9,12-13,18H,6-7,10-11,14H2,1-2H3,(H,22,25)/p+1/t18-/m0/s1