5-(4-piperidin-1-ium-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one

Systemtic Name: 5-(4-piperidin-1-ium-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: 5-(4-piperidin-1-ium-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one CAS Name: 5-[4-(1-piperidin-1-iumyl)butoxy]-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: 5-(4-piperidin-1-ium-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: 5-(4-piperidin-1-ium-1-ylbutoxy)-3,4-dihydroisocarbostyril Formula: C18H27N2O2+ MolecularWeight: 303.41918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCCOC2=CC=CC3=C2CCNC3=O

Isomeric SMILES

C1CC[NH+](CC1)CCCCOC2=CC=CC3=C2CCNC3=O

InChI

InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)/p+1