3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-benzo[h]quinolin-1-ium-4-ol

Systemtic Name: 3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-benzo[h]quinolin-1-ium-4-ol Openeye Name: 3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-benzo[h]quinolin-1-ium-4-ol CAS Name: 3-[(2-ethyl-1-piperidin-1-iumyl)methyl]-2-methyl-4-benzo[h]quinolin-1-iumol IUPAC Name: 3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methylbenzo[h]quinolin-1-ium-4-ol Traditional Name: 3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-benzo[h]quinolin-1-ium-4-ol Formula: C22H28N2O+2 MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C3=C(C4=CC=CC=C4C=C3)[NH+]=C2C)O

Isomeric SMILES

CCC1CCCC[NH+]1CC2=C(C3=C(C4=CC=CC=C4C=C3)[NH+]=C2C)O

InChI

InChI=1S/C22H26N2O/c1-3-17-9-6-7-13-24(17)14-20-15(2)23-21-18-10-5-4-8-16(18)11-12-19(21)22(20)25/h4-5,8,10-12,17H,3,6-7,9,13-14H2,1-2H3,(H,23,25)/p+2