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

Systemtic Name: 4-[[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-3-nitro-benzamide Openeye Name: 4-[[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-3-nitro-benzamide CAS Name: 4-[[(2R)-4-methyl-2-(1-pyrrolidin-1-iumyl)pentyl]amino]-3-nitrobenzamide IUPAC Name: 4-[[(2R)-4-methyl-2-pyrrolidin-1-ium-1-ylpentyl]amino]-3-nitrobenzamide Traditional Name: 4-[[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-3-nitro-benzamide Formula: C17H27N4O3+ MolecularWeight: 335.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])[NH+]2CCCC2

Isomeric SMILES

CC(C)C[C@H](CNC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])[NH+]2CCCC2

InChI

InChI=1S/C17H26N4O3/c1-12(2)9-14(20-7-3-4-8-20)11-19-15-6-5-13(17(18)22)10-16(15)21(23)24/h5-6,10,12,14,19H,3-4,7-9,11H2,1-2H3,(H2,18,22)/p+1/t14-/m1/s1