3,4-dihydro-1H-isoquinolin-2-yl-[(3S,6S)-6-methylpiperidin-1-ium-3-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S,6S)-6-methylpiperidin-1-ium-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S,6S)-6-methylpiperidin-1-ium-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S,6S)-6-methyl-3-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S,6S)-6-methylpiperidin-1-ium-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S,6S)-6-methylpiperidin-1-ium-3-yl]methanone Formula: C16H23N2O+ MolecularWeight: 259.36662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH2+]1)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@H]1CC[C@@H](C[NH2+]1)C(=O)N2CCC3=CC=CC=C3C2

InChI

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