2-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)-1-piperidin-1-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[4-methylol-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]-4-quinolone Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(CCOC2=CC=CC=C2)CO)CC3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1C[NH+](CCC1(CCOC2=CC=CC=C2)CO)CC3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C24H28N2O3/c27-18-24(12-15-29-20-6-2-1-3-7-20)10-13-26(14-11-24)17-19-16-23(28)21-8-4-5-9-22(21)25-19/h1-9,16,27H,10-15,17-18H2,(H,25,28)/p+1