7-[(4-methylpiperidin-1-ium-1-yl)-pyridin-4-yl-methyl]quinolin-1-ium-8-ol

Systemtic Name: 7-[(4-methylpiperidin-1-ium-1-yl)-pyridin-4-yl-methyl]quinolin-1-ium-8-ol Openeye Name: 7-[(4-methylpiperidin-1-ium-1-yl)-(4-pyridyl)methyl]quinolin-1-ium-8-ol CAS Name: 7-[(4-methyl-1-piperidin-1-iumyl)-pyridin-4-ylmethyl]-8-quinolin-1-iumol IUPAC Name: 7-[(4-methylpiperidin-1-ium-1-yl)-pyridin-4-ylmethyl]quinolin-1-ium-8-ol Traditional Name: 7-[(4-methylpiperidin-1-ium-1-yl)-(4-pyridyl)methyl]quinolin-1-ium-8-ol Formula: C21H25N3O+2 MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C2=CC=NC=C2)C3=C(C4=C(C=CC=[NH+]4)C=C3)O

Isomeric SMILES

CC1CC[NH+](CC1)C(C2=CC=NC=C2)C3=C(C4=C(C=CC=[NH+]4)C=C3)O

InChI

InChI=1S/C21H23N3O/c1-15-8-13-24(14-9-15)20(17-6-11-22-12-7-17)18-5-4-16-3-2-10-23-19(16)21(18)25/h2-7,10-12,15,20,25H,8-9,13-14H2,1H3/p+2