4-(cyclopropylamino)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-nitro-benzamide Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O3/c1-2-20-9-3-4-14(20)11-18-17(22)12-5-8-15(19-13-6-7-13)16(10-12)21(23)24/h5,8,10,13-14,19H,2-4,6-7,9,11H2,1H3,(H,18,22)/p+1/t14-/m1/s1