(5-chloranyl-2-methoxy-phenyl)methyl-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-[(5-chloro-2-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(5-chloro-2-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-(5-chloro-2-methoxy-benzyl)-methyl-ammonium Formula: C20H26ClN2O3+ MolecularWeight: 377.88504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)[NH+](C)CC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)[NH+](C)CC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C20H25ClN2O3/c1-11-18(14(4)24)12(2)22-19(11)20(25)13(3)23(5)10-15-9-16(21)7-8-17(15)26-6/h7-9,13,22H,10H2,1-6H3/p+1/t13-/m0/s1