1-methyl-4-[(1R,3S)-3-methylcyclohexyl]-1,4-diazepan-4-ium

Systemtic Name: 1-methyl-4-[(1R,3S)-3-methylcyclohexyl]-1,4-diazepan-4-ium Openeye Name: 1-methyl-4-[(1R,3S)-3-methylcyclohexyl]-1,4-diazepan-4-ium CAS Name: 1-methyl-4-[(1R,3S)-3-methylcyclohexyl]-1,4-diazepan-4-ium IUPAC Name: 1-methyl-4-[(1R,3S)-3-methylcyclohexyl]-1,4-diazepan-4-ium Traditional Name: 1-methyl-4-[(1R,3S)-3-methylcyclohexyl]-1,4-diazepan-4-ium Formula: C13H27N2+ MolecularWeight: 211.36688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCCN(CC2)C

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CCCN(CC2)C

InChI

InChI=1S/C13H26N2/c1-12-5-3-6-13(11-12)15-8-4-7-14(2)9-10-15/h12-13H,3-11H2,1-2H3/p+1/t12-,13+/m0/s1