[(3S)-3-methylpiperidin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone

Systemtic Name: [(3S)-3-methylpiperidin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone Openeye Name: [(3S)-3-methyl-1-piperidyl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone CAS Name: [(3S)-3-methyl-1-piperidinyl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone IUPAC Name: [(3S)-3-methylpiperidin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone Traditional Name: [(3S)-3-methylpiperidino]-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone Formula: C16H23N2O+ MolecularWeight: 259.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C16H22N2O/c1-12-5-4-8-18(11-12)16(19)15-9-13-6-2-3-7-14(13)10-17-15/h2-3,6-7,12,15,17H,4-5,8-11H2,1H3/p+1/t12-,15+/m0/s1