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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-31-19-6-4-5-16(13-19)22(26-11-2-3-12-26)15-24-23(28)17-7-10-20(25-18-8-9-18)21(14-17)27(29)30/h4-7,10,13-14,18,22,25H,2-3,8-9,11-12,15H2,1H3,(H,24,28)/p+1/t22-/m0/s1