1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(3-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(3-pyridinylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(3-pyridylmethyl)piperazine-1,4-diium Formula: C17H29N3+2 MolecularWeight: 275.43226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3/c1-15-4-2-6-17(12-15)20-10-8-19(9-11-20)14-16-5-3-7-18-13-16/h3,5,7,13,15,17H,2,4,6,8-12,14H2,1H3/p+2/t15-,17+/m0/s1