[1-(azepan-1-ium-1-yl)-4-tert-butyl-cyclohexyl]methylazanium

Systemtic Name: [1-(azepan-1-ium-1-yl)-4-tert-butyl-cyclohexyl]methylazanium Openeye Name: [1-(azepan-1-ium-1-yl)-4-tert-butyl-cyclohexyl]methylammonium CAS Name: [1-(1-azepan-1-iumyl)-4-tert-butylcyclohexyl]methylammonium IUPAC Name: [1-(azepan-1-ium-1-yl)-4-tert-butylcyclohexyl]methylazanium Traditional Name: [1-(azepan-1-ium-1-yl)-4-tert-butyl-cyclohexyl]methylammonium Formula: C17H36N2+2 MolecularWeight: 268.48114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

CC(C)(C)C1CCC(CC1)(C[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C17H34N2/c1-16(2,3)15-8-10-17(14-18,11-9-15)19-12-6-4-5-7-13-19/h15H,4-14,18H2,1-3H3/p+2