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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

C[C@H]1CCCCN1C(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

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