[(1S,2S)-2-tert-butylcyclohexyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: [(1S,2S)-2-tert-butylcyclohexyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [(1S,2S)-2-tert-butylcyclohexyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [(1S,2S)-2-tert-butylcyclohexyl]-[3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(1S,2S)-2-tert-butylcyclohexyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [(1S,2S)-2-tert-butylcyclohexyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C18H39N3+2 MolecularWeight: 297.52236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCCCC1[NH2+]CCCN2CC[NH+](CC2)C

Isomeric SMILES

CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCN2CC[NH+](CC2)C

InChI

InChI=1S/C18H37N3/c1-18(2,3)16-8-5-6-9-17(16)19-10-7-11-21-14-12-20(4)13-15-21/h16-17,19H,5-15H2,1-4H3/p+2/t16-,17+/m1/s1