(2R)-4-ethanoyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-ethanoyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-acetyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-acetyl-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-acetyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-acetyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4

Isomeric SMILES

CC(=O)N1C[C@@H](OC2=CC=CC=C21)C(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4

InChI

InChI=1S/C24H29N3O4/c1-17(28)27-16-23(31-22-8-4-3-7-20(22)27)24(29)25-15-21(26-13-5-6-14-26)18-9-11-19(30-2)12-10-18/h3-4,7-12,21,23H,5-6,13-16H2,1-2H3,(H,25,29)/p+1/t21-,23+/m0/s1