(2R)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-2-(2-phenylethanoylamino)butanamide

Systemtic Name: (2R)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-2-(2-phenylethanoylamino)butanamide Openeye Name: (2R)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide CAS Name: (2R)-N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanamide IUPAC Name: (2R)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide Traditional Name: (2R)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butyramide Formula: C26H36N3O3+ MolecularWeight: 438.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C1=CC=CC=C1OC)[NH+]2CCCC2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)NC[C@@H](C1=CC=CC=C1OC)[NH+]2CCCC2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O3/c1-19(2)25(28-24(30)17-20-11-5-4-6-12-20)26(31)27-18-22(29-15-9-10-16-29)21-13-7-8-14-23(21)32-3/h4-8,11-14,19,22,25H,9-10,15-18H2,1-3H3,(H,27,31)(H,28,30)/p+1/t22-,25+/m0/s1