(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]azanium

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]azanium Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]ammonium CAS Name: (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]ammonium IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]azanium Traditional Name: (4,5-dimethoxy-2-methyl-benzyl)-[(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]-methyl-ammonium Formula: C24H34N3O3+ MolecularWeight: 412.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+](C)C(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+](C)[C@@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C24H33N3O3/c1-18-15-22(29-4)23(30-5)16-20(18)17-25(3)19(2)24(28)27-13-11-26(12-14-27)21-9-7-6-8-10-21/h6-10,15-16,19H,11-14,17H2,1-5H3/p+1/t19-/m0/s1