3-(4-methylpiperazin-4-ium-1-yl)propyl-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]azanium

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]azanium Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)propyl-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ammonium IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]azanium Traditional Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-[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:

CC1CCC(C(C1)[NH2+]CCCN2CC[NH+](CC2)C)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)[NH2+]CCCN2CC[NH+](CC2)C)C(C)C

InChI

InChI=1S/C18H37N3/c1-15(2)17-7-6-16(3)14-18(17)19-8-5-9-21-12-10-20(4)11-13-21/h15-19H,5-14H2,1-4H3/p+2/t16-,17+,18-/m0/s1