1-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-2,2,3-trimethyl-1,3-dihydroisoquinolin-2-ium-4-one

Systemtic Name: 1-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-2,2,3-trimethyl-1,3-dihydroisoquinolin-2-ium-4-one Openeye Name: 1-(3-amino-2-hydroxy-4-phenyl-butyl)-2,2,3-trimethyl-1,3-dihydroisoquinolin-2-ium-4-one CAS Name: 1-(3-amino-2-hydroxy-4-phenylbutyl)-2,2,3-trimethyl-1,3-dihydroisoquinolin-2-ium-4-one IUPAC Name: 1-(3-amino-2-hydroxy-4-phenylbutyl)-2,2,3-trimethyl-1,3-dihydroisoquinolin-2-ium-4-one Traditional Name: 1-(3-amino-2-hydroxy-4-phenyl-butyl)-2,2,3-trimethyl-1,3-dihydroisoquinolin-2-ium-4-one Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C2=CC=CC=C2C([N+]1(C)C)CC(C(CC3=CC=CC=C3)N)O

Isomeric SMILES

CC1C(=O)C2=CC=CC=C2C([N+]1(C)C)CC(C(CC3=CC=CC=C3)N)O

InChI

InChI=1S/C22H29N2O2/c1-15-22(26)18-12-8-7-11-17(18)20(24(15,2)3)14-21(25)19(23)13-16-9-5-4-6-10-16/h4-12,15,19-21,25H,13-14,23H2,1-3H3/q+1