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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-piperidin-1-ium-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-piperidin-1-ium-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-3-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-piperidin-1-ium-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-piperidin-1-ium-3-yl]methanone Formula: C15H21N2O+ MolecularWeight: 245.34004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C15H20N2O/c18-15(13-6-3-8-16-10-13)17-9-7-12-4-1-2-5-14(12)11-17/h1-2,4-5,13,16H,3,6-11H2/p+1/t13-/m0/s1