(2S)-3-methyl-2-(2-phenoxyethanoylamino)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: (2S)-3-methyl-2-(2-phenoxyethanoylamino)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]butanamide IUPAC Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]butyramide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=C1C[NH+]2CCCC2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=CC=C1C[NH+]2CCCC2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3/c1-19(2)24(27-23(29)18-31-22-12-4-3-5-13-22)25(30)26-16-20-10-6-7-11-21(20)17-28-14-8-9-15-28/h3-7,10-13,19,24H,8-9,14-18H2,1-2H3,(H,26,30)(H,27,29)/p+1/t24-/m0/s1