[(1S,2S,4R)-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-cyclohexyl]azanium

Systemtic Name: [(1S,2S,4R)-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-cyclohexyl]azanium Openeye Name: [(1S,2S,4R)-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-cyclohexyl]ammonium CAS Name: [(1S,2S,4R)-2-(4-methyl-1-piperazin-4-iumyl)-4-phenylcyclohexyl]ammonium IUPAC Name: [(1S,2S,4R)-2-(4-methylpiperazin-4-ium-1-yl)-4-phenylcyclohexyl]azanium Traditional Name: [(1S,2S,4R)-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-cyclohexyl]ammonium Formula: C17H29N3+2 MolecularWeight: 275.43226

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC(CCC2[NH3+])C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H]2C[C@@H](CC[C@@H]2[NH3+])C3=CC=CC=C3

InChI

InChI=1S/C17H27N3/c1-19-9-11-20(12-10-19)17-13-15(7-8-16(17)18)14-5-3-2-4-6-14/h2-6,15-17H,7-13,18H2,1H3/p+2/t15-,16+,17+/m1/s1