4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-nitro-benzamide Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCC[NH+]2CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1[C@H]2CCC[NH+]2CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3/c1-19-8-2-4-14(19)15-5-3-9-20(15)11-13-7-6-12(17(18)22)10-16(13)21(23)24/h2,4,6-8,10,15H,3,5,9,11H2,1H3,(H2,18,22)/p+1/t15-/m1/s1