1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-(4-methoxy-2,5-dimethyl-benzyl)-4-phenyl-piperazin-1-ium Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=CC=CC=C3)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=CC=CC=C3)C)OC

InChI

InChI=1S/C20H26N2O/c1-16-14-20(23-3)17(2)13-18(16)15-21-9-11-22(12-10-21)19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3/p+1