N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-keto-1,4-benzoxazin-4-yl)propionamide Formula: C23H27ClN3O3+ MolecularWeight: 428.93178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCN2C(=O)COC3=CC=CC=C32)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CCN2C(=O)COC3=CC=CC=C32)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H26ClN3O3/c24-18-8-2-1-7-17(18)20(26-12-5-6-13-26)15-25-22(28)11-14-27-19-9-3-4-10-21(19)30-16-23(27)29/h1-4,7-10,20H,5-6,11-16H2,(H,25,28)/p+1/t20-/m0/s1