[(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)azanium

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)azanium Openeye Name: [(1S)-2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl]-(3-oxo-3-pyrrolidin-1-yl-propyl)ammonium CAS Name: [(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-[3-oxo-3-(1-pyrrolidinyl)propyl]ammonium IUPAC Name: [(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-(3-oxo-3-pyrrolidin-1-ylpropyl)azanium Traditional Name: [(1S)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl]-(3-keto-3-pyrrolidino-propyl)ammonium Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CCC(=O)N3CCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CCC(=O)N3CCCC3)Cl

InChI

InChI=1S/C22H26ClN3O3/c1-29-19-10-9-17(15-18(19)23)25-22(28)21(16-7-3-2-4-8-16)24-12-11-20(27)26-13-5-6-14-26/h2-4,7-10,15,21,24H,5-6,11-14H2,1H3,(H,25,28)/p+1/t21-/m0/s1