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

Systemtic Name: [(1S,2S,4R)-2-(4-ethylpiperazin-4-ium-1-yl)-4-phenyl-cyclohexyl]azanium Openeye Name: [(1S,2S,4R)-2-(4-ethylpiperazin-4-ium-1-yl)-4-phenyl-cyclohexyl]ammonium CAS Name: [(1S,2S,4R)-2-(4-ethyl-1-piperazin-4-iumyl)-4-phenylcyclohexyl]ammonium IUPAC Name: [(1S,2S,4R)-2-(4-ethylpiperazin-4-ium-1-yl)-4-phenylcyclohexyl]azanium Traditional Name: [(1S,2S,4R)-2-(4-ethylpiperazin-4-ium-1-yl)-4-phenyl-cyclohexyl]ammonium Formula: C18H31N3+2 MolecularWeight: 289.45884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3/c1-2-20-10-12-21(13-11-20)18-14-16(8-9-17(18)19)15-6-4-3-5-7-15/h3-7,16-18H,2,8-14,19H2,1H3/p+2/t16-,17+,18+/m1/s1