1-[1-(phenylmethyl)-8aH-quinolin-8-yl]ethanone; 1-[1-(phenylmethyl)quinolin-1-ium-7-yl]ethanone

Systemtic Name: 1-[1-(phenylmethyl)-8aH-quinolin-8-yl]ethanone; 1-[1-(phenylmethyl)quinolin-1-ium-7-yl]ethanone Openeye Name: 1-(1-benzyl-8aH-quinolin-8-yl)ethanone; 1-(1-benzylquinolin-1-ium-7-yl)ethanone CAS Name: 1-[1-(phenylmethyl)-8aH-quinolin-8-yl]ethanone; 1-[1-(phenylmethyl)-7-quinolin-1-iumyl]ethanone IUPAC Name: 1-(1-benzyl-8aH-quinolin-8-yl)ethanone; 1-(1-benzylquinolin-1-ium-7-yl)ethanone Traditional Name: 1-(1-benzyl-8aH-quinolin-8-yl)ethanone; 1-(1-benzylquinolin-1-ium-7-yl)ethanone Formula: C36H33N2O2+ MolecularWeight: 525.65942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=CC=[N+]2CC3=CC=CC=C3)C=C1.CC(=O)C1=CC=CC2=CC=CN(C21)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC2=C(C=CC=[N+]2CC3=CC=CC=C3)C=C1.CC(=O)C1=CC=CC2=CC=CN(C21)CC3=CC=CC=C3

InChI

InChI=1S/C18H17NO.C18H16NO/c1-14(20)17-11-5-9-16-10-6-12-19(18(16)17)13-15-7-3-2-4-8-15;1-14(20)17-10-9-16-8-5-11-19(18(16)12-17)13-15-6-3-2-4-7-15/h2-12,18H,13H2,1H3;2-12H,13H2,1H3/q;+1