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

Systemtic Name: 1-[(1R,2S)-2-methylcyclohexyl]-4-(pyridin-4-ylmethyl)piperazin-1-ium Openeye Name: 1-[(1R,2S)-2-methylcyclohexyl]-4-(4-pyridylmethyl)piperazin-1-ium CAS Name: 1-[(1R,2S)-2-methylcyclohexyl]-4-(pyridin-4-ylmethyl)piperazin-1-ium IUPAC Name: 1-[(1R,2S)-2-methylcyclohexyl]-4-(pyridin-4-ylmethyl)piperazin-1-ium Traditional Name: 1-[(1R,2S)-2-methylcyclohexyl]-4-(4-pyridylmethyl)piperazin-1-ium Formula: C17H28N3+ MolecularWeight: 274.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3/c1-15-4-2-3-5-17(15)20-12-10-19(11-13-20)14-16-6-8-18-9-7-16/h6-9,15,17H,2-5,10-14H2,1H3/p+1/t15-,17+/m0/s1