1-[(1R,2S)-2-methylcyclohexyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[(1R,2S)-2-methylcyclohexyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium CAS Name: 1-[(1R,2S)-2-methylcyclohexyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium Formula: C18H29N2+ MolecularWeight: 273.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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