3,4,5-trimethoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-nitro-benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-nitro-benzamide Openeye Name: 3,4,5-trimethoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-nitro-benzamide CAS Name: 3,4,5-trimethoxy-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-nitrobenzamide IUPAC Name: 3,4,5-trimethoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-nitrobenzamide Traditional Name: 3,4,5-trimethoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-nitro-benzamide Formula: C23H30N3O7+ MolecularWeight: 460.5002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O7/c1-30-16-9-7-15(8-10-16)18(25-11-5-6-12-25)14-24-23(27)17-13-19(31-2)21(32-3)22(33-4)20(17)26(28)29/h7-10,13,18H,5-6,11-12,14H2,1-4H3,(H,24,27)/p+1/t18-/m0/s1