1-[(1S,3R)-3-methylcyclohexyl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[(1S,3R)-3-methylcyclohexyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(1S,3R)-3-methylcyclohexyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(1S,3R)-3-methylcyclohexyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(1S,3R)-3-methylcyclohexyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(1S,3R)-3-methylcyclohexyl]-4-phenyl-piperazin-1-ium Formula: C17H27N2+ MolecularWeight: 259.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H26N2/c1-15-6-5-9-17(14-15)19-12-10-18(11-13-19)16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14H2,1H3/p+1/t15-,17+/m1/s1