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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CN=CC=C4

InChI

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