N-(1-cyclohexyl-3-oxidanyl-pyrrolidin-1-ium-1-yl)-4-nitro-benzamide

Systemtic Name: N-(1-cyclohexyl-3-oxidanyl-pyrrolidin-1-ium-1-yl)-4-nitro-benzamide Openeye Name: N-(1-cyclohexyl-3-hydroxy-pyrrolidin-1-ium-1-yl)-4-nitro-benzamide CAS Name: N-(1-cyclohexyl-3-hydroxy-1-pyrrolidin-1-iumyl)-4-nitrobenzamide IUPAC Name: N-(1-cyclohexyl-3-hydroxypyrrolidin-1-ium-1-yl)-4-nitrobenzamide Traditional Name: N-(1-cyclohexyl-3-hydroxy-pyrrolidin-1-ium-1-yl)-4-nitro-benzamide Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+]2(CCC(C2)O)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)[N+]2(CCC(C2)O)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4/c21-16-10-11-20(12-16,15-4-2-1-3-5-15)18-17(22)13-6-8-14(9-7-13)19(23)24/h6-9,15-16,21H,1-5,10-12H2/p+1