[1-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]cyclohexyl]azanium

Systemtic Name: [1-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]cyclohexyl]azanium Openeye Name: [1-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]cyclohexyl]ammonium CAS Name: [1-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]cyclohexyl]ammonium IUPAC Name: [1-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]cyclohexyl]azanium Traditional Name: [1-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]cyclohexyl]ammonium Formula: C18H31N3+2 MolecularWeight: 289.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3(CCCCC3)[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3(CCCCC3)[NH3+]

InChI

InChI=1S/C18H29N3/c1-16-6-5-7-17(14-16)21-12-10-20(11-13-21)15-18(19)8-3-2-4-9-18/h5-7,14H,2-4,8-13,15,19H2,1H3/p+2