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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanone Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NC=C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC=NC=C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N3O/c25-21(24-13-9-18-4-1-2-5-19(18)16-24)20-6-3-12-23(15-20)14-17-7-10-22-11-8-17/h1-2,4-5,7-8,10-11,20H,3,6,9,12-16H2/p+1/t20-/m1/s1