(3S)-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: (3S)-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline Openeye Name: (3S)-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline CAS Name: (3S)-3-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1,2,3,4-tetrahydroisoquinoline IUPAC Name: (3S)-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline Traditional Name: (3S)-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline Formula: C16H25N2+ MolecularWeight: 245.3831

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2CC3=CC=CC=C3CN2

Isomeric SMILES

C[C@H]1CCCC[NH+]1C[C@@H]2CC3=CC=CC=C3CN2

InChI

InChI=1S/C16H24N2/c1-13-6-4-5-9-18(13)12-16-10-14-7-2-3-8-15(14)11-17-16/h2-3,7-8,13,16-17H,4-6,9-12H2,1H3/p+1/t13-,16-/m0/s1