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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C24H31N4O4+ MolecularWeight: 439.52734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])[NH+]4CCCC4

InChI

InChI=1S/C24H30N4O4/c1-32-20-9-6-18(7-10-20)23(27-14-4-5-15-27)17-25-24(29)19-8-11-21(22(16-19)28(30)31)26-12-2-3-13-26/h6-11,16,23H,2-5,12-15,17H2,1H3,(H,25,29)/p+1/t23-/m0/s1