(2,4-dimethylphenyl)methyl-methyl-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium Openeye Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium Traditional Name: (2,4-dimethylbenzyl)-[2-keto-2-(4-phenylpiperazino)ethyl]-methyl-ammonium Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O/c1-18-9-10-20(19(2)15-18)16-23(3)17-22(26)25-13-11-24(12-14-25)21-7-5-4-6-8-21/h4-10,15H,11-14,16-17H2,1-3H3/p+1