1-[1-(4-tert-butylphenyl)-4-methyl-cyclohexyl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[1-(4-tert-butylphenyl)-4-methyl-cyclohexyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[1-(4-tert-butylphenyl)-4-methyl-cyclohexyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[1-(4-tert-butylphenyl)-4-methylcyclohexyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[1-(4-tert-butylphenyl)-4-methylcyclohexyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[1-(4-tert-butylphenyl)-4-methyl-cyclohexyl]-4-phenyl-piperazin-1-ium Formula: C27H39N2+ MolecularWeight: 391.61196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C2=CC=C(C=C2)C(C)(C)C)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1CCC(CC1)(C2=CC=C(C=C2)C(C)(C)C)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H38N2/c1-22-14-16-27(17-15-22,24-12-10-23(11-13-24)26(2,3)4)29-20-18-28(19-21-29)25-8-6-5-7-9-25/h5-13,22H,14-21H2,1-4H3/p+1