[(1R)-2-[(4-ethoxyphenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylazanium

Systemtic Name: [(1R)-2-[(4-ethoxyphenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylazanium Openeye Name: [(1R)-2-[(4-ethoxyphenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium CAS Name: [(1R)-2-[(4-ethoxyanilino)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium IUPAC Name: [(1R)-2-[(4-ethoxyphenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylazanium Traditional Name: [(1R)-6,7-dimethoxy-2-(p-phenetylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N2CCC3=CC(=C(C=C3C2C[NH3+])OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N2CCC3=CC(=C(C=C3[C@@H]2C[NH3+])OC)OC

InChI

InChI=1S/C21H27N3O4/c1-4-28-16-7-5-15(6-8-16)23-21(25)24-10-9-14-11-19(26-2)20(27-3)12-17(14)18(24)13-22/h5-8,11-12,18H,4,9-10,13,22H2,1-3H3,(H,23,25)/p+1/t18-/m0/s1