4-(cyclopropylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C20H24N4O4/c25-20(14-5-8-16(22-15-6-7-15)17(12-14)24(26)27)21-13-18(19-4-3-11-28-19)23-9-1-2-10-23/h3-5,8,11-12,15,18,22H,1-2,6-7,9-10,13H2,(H,21,25)/p+1/t18-/m0/s1