ethyl N-[2-oxidanylidene-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-7-yl]carbamate

Systemtic Name: ethyl N-[2-oxidanylidene-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-7-yl]carbamate Openeye Name: ethyl N-[2-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-7-yl]carbamate CAS Name: N-[2-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-7-yl]carbamate Traditional Name: N-[2-keto-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-7-yl]carbamic acid ethyl ester Formula: C22H23N2O4+ MolecularWeight: 379.42902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22N2O4/c1-2-27-22(26)23-18-7-8-19-17(11-21(25)28-20(19)12-18)14-24-10-9-15-5-3-4-6-16(15)13-24/h3-8,11-12H,2,9-10,13-14H2,1H3,(H,23,26)/p+1