6-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,2,3,4-tetrahydroquinoline

Systemtic Name: 6-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,2,3,4-tetrahydroquinoline Openeye Name: 6-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,2,3,4-tetrahydroquinoline CAS Name: 6-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-1,2,3,4-tetrahydroquinoline IUPAC Name: 6-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,2,3,4-tetrahydroquinoline Traditional Name: 6-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,2,3,4-tetrahydroquinoline Formula: C17H27N2+ MolecularWeight: 259.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC3=C(C=C2)NCCC3)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2)NCCC3)C

InChI

InChI=1S/C17H26N2/c1-13-8-14(2)11-19(10-13)12-15-5-6-17-16(9-15)4-3-7-18-17/h5-6,9,13-14,18H,3-4,7-8,10-12H2,1-2H3/p+1/t13-,14-/m0/s1