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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)CC5=CC=CC=N5

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)CC5=CC=CC=N5

InChI

InChI=1S/C27H29N3O2/c31-27(30-18-12-21-5-1-2-6-23(21)19-30)22-8-10-25(11-9-22)32-26-13-16-29(17-14-26)20-24-7-3-4-15-28-24/h1-11,15,26H,12-14,16-20H2/p+1