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

Systemtic Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium CAS Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Formula: C18H29N2+ MolecularWeight: 273.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H28N2/c1-16-6-5-9-18(14-16)20-12-10-19(11-13-20)15-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3/p+1/t16-,18-/m0/s1