N-cyclopropyl-4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzamide

Systemtic Name: N-cyclopropyl-4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzamide Openeye Name: N-cyclopropyl-4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzamide CAS Name: N-cyclopropyl-4-[[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-3-nitrobenzamide IUPAC Name: N-cyclopropyl-4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-3-nitrobenzamide Traditional Name: N-cyclopropyl-4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzamide Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC2=C(C=C(C=C2)C(=O)NC3CC3)[N+](=O)[O-])[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC2=C(C=C(C=C2)C(=O)NC3CC3)[N+](=O)[O-])[NH+]4CCCC4

InChI

InChI=1S/C23H28N4O4/c1-31-22-7-3-2-6-18(22)21(26-12-4-5-13-26)15-24-19-11-8-16(14-20(19)27(29)30)23(28)25-17-9-10-17/h2-3,6-8,11,14,17,21,24H,4-5,9-10,12-13,15H2,1H3,(H,25,28)/p+1/t21-/m0/s1