[(3R,4S)-4-(4-chlorophenyl)-1-methyl-pyrrolidin-1-ium-3-yl]-(4-nitrophenyl)methanone

Systemtic Name: [(3R,4S)-4-(4-chlorophenyl)-1-methyl-pyrrolidin-1-ium-3-yl]-(4-nitrophenyl)methanone Openeye Name: [(3R,4S)-4-(4-chlorophenyl)-1-methyl-pyrrolidin-1-ium-3-yl]-(4-nitrophenyl)methanone CAS Name: [(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-pyrrolidin-1-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-1-ium-3-yl]-(4-nitrophenyl)methanone Traditional Name: [(3R,4S)-4-(4-chlorophenyl)-1-methyl-pyrrolidin-1-ium-3-yl]-(4-nitrophenyl)methanone Formula: C18H18ClN2O3+ MolecularWeight: 345.80012

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(C(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1C[C@@H]([C@H](C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2O3/c1-20-10-16(12-2-6-14(19)7-3-12)17(11-20)18(22)13-4-8-15(9-5-13)21(23)24/h2-9,16-17H,10-11H2,1H3/p+1/t16-,17+/m1/s1