[(1S,2S,4R)-4-(2-methylbutan-2-yl)-2-(4-propylpiperazin-4-ium-1-yl)cyclohexyl]azanium

Systemtic Name: [(1S,2S,4R)-4-(2-methylbutan-2-yl)-2-(4-propylpiperazin-4-ium-1-yl)cyclohexyl]azanium Openeye Name: [(1S,2S,4R)-4-(1,1-dimethylpropyl)-2-(4-propylpiperazin-4-ium-1-yl)cyclohexyl]ammonium CAS Name: [(1S,2S,4R)-4-(2-methylbutan-2-yl)-2-(4-propyl-1-piperazin-4-iumyl)cyclohexyl]ammonium IUPAC Name: [(1S,2S,4R)-4-(2-methylbutan-2-yl)-2-(4-propylpiperazin-4-ium-1-yl)cyclohexyl]azanium Traditional Name: [(1S,2S,4R)-4-tert-amyl-2-(4-propylpiperazin-4-ium-1-yl)cyclohexyl]ammonium Formula: C18H39N3+2 MolecularWeight: 297.52236

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2CC(CCC2[NH3+])C(C)(C)CC

Isomeric SMILES

CCC[NH+]1CCN(CC1)[C@H]2C[C@@H](CC[C@@H]2[NH3+])C(C)(C)CC

InChI

InChI=1S/C18H37N3/c1-5-9-20-10-12-21(13-11-20)17-14-15(7-8-16(17)19)18(3,4)6-2/h15-17H,5-14,19H2,1-4H3/p+2/t15-,16+,17+/m1/s1