[1-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-cyclohexyl]methylazanium

Systemtic Name: [1-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-cyclohexyl]methylazanium Openeye Name: [1-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-cyclohexyl]methylammonium CAS Name: [1-(4-methyl-1-piperazin-4-iumyl)-4-phenylcyclohexyl]methylammonium IUPAC Name: [1-(4-methylpiperazin-4-ium-1-yl)-4-phenylcyclohexyl]methylazanium Traditional Name: [1-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-cyclohexyl]methylammonium Formula: C18H31N3+2 MolecularWeight: 289.45884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2(CCC(CC2)C3=CC=CC=C3)C[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)C2(CCC(CC2)C3=CC=CC=C3)C[NH3+]

InChI

InChI=1S/C18H29N3/c1-20-11-13-21(14-12-20)18(15-19)9-7-17(8-10-18)16-5-3-2-4-6-16/h2-6,17H,7-15,19H2,1H3/p+2