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

Systemtic Name: (4-dimethylaminophenyl)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]-[(4-dimethylaminophenyl)methyl]-methyl-ammonium CAS Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(4-dimethylaminophenyl)methyl]-methylammonium IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(4-dimethylaminophenyl)methyl]-methylazanium Traditional Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-[4-(dimethylamino)benzyl]-methyl-ammonium Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2/c1-13-19(16(4)25)14(2)22-20(13)21(26)15(3)24(7)12-17-8-10-18(11-9-17)23(5)6/h8-11,15,22H,12H2,1-7H3/p+1/t15-/m0/s1