(4-cyano-2,2-diethyl-butyl)-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]azanium

Systemtic Name: (4-cyano-2,2-diethyl-butyl)-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]azanium Openeye Name: (4-cyano-2,2-diethyl-butyl)-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]ammonium CAS Name: (4-cyano-2,2-diethylbutyl)-[[1-(4-methyl-1-piperazin-4-iumyl)cyclohexyl]methyl]ammonium IUPAC Name: (4-cyano-2,2-diethylbutyl)-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]azanium Traditional Name: (4-cyano-2,2-diethyl-butyl)-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]ammonium Formula: C21H42N4+2 MolecularWeight: 350.58498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCC#N)C[NH2+]CC1(CCCCC1)N2CC[NH+](CC2)C

Isomeric SMILES

CCC(CC)(CCC#N)C[NH2+]CC1(CCCCC1)N2CC[NH+](CC2)C

InChI

InChI=1S/C21H40N4/c1-4-20(5-2,10-9-13-22)18-23-19-21(11-7-6-8-12-21)25-16-14-24(3)15-17-25/h23H,4-12,14-19H2,1-3H3/p+2