(1R)-1,3,3-trimethyl-N-[(Z)-1-phenylethylideneamino]-2,4-dihydroisoquinolin-2-ium-1-carboxamide

Systemtic Name: (1R)-1,3,3-trimethyl-N-[(Z)-1-phenylethylideneamino]-2,4-dihydroisoquinolin-2-ium-1-carboxamide Openeye Name: (1R)-1,3,3-trimethyl-N-[(Z)-1-phenylethylideneamino]-2,4-dihydroisoquinolin-2-ium-1-carboxamide CAS Name: (1R)-1,3,3-trimethyl-N-[(Z)-1-phenylethylideneamino]-2,4-dihydroisoquinolin-2-ium-1-carboxamide IUPAC Name: (1R)-1,3,3-trimethyl-N-[(Z)-1-phenylethylideneamino]-2,4-dihydroisoquinolin-2-ium-1-carboxamide Traditional Name: (1R)-1,3,3-trimethyl-N-[(Z)-1-phenylethylideneamino]-2,4-dihydroisoquinolin-2-ium-1-carboxamide Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1(C2=CC=CC=C2CC([NH2+]1)(C)C)C)C3=CC=CC=C3

Isomeric SMILES

C/C(=N/NC(=O)[C@]1(C2=CC=CC=C2CC([NH2+]1)(C)C)C)/C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O/c1-15(16-10-6-5-7-11-16)22-23-19(25)21(4)18-13-9-8-12-17(18)14-20(2,3)24-21/h5-13,24H,14H2,1-4H3,(H,23,25)/p+1/b22-15-/t21-/m1/s1