ethyl 7-bromanyl-8-methoxy-2-(phenylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-2-ium-10-carboxylate

Systemtic Name: ethyl 7-bromanyl-8-methoxy-2-(phenylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-2-ium-10-carboxylate Openeye Name: ethyl 2-benzyl-7-bromo-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-2-ium-10-carboxylate CAS Name: 7-bromo-8-methoxy-2-(phenylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-2-ium-10-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-7-bromo-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-2-ium-10-carboxylate Traditional Name: 2-benzyl-7-bromo-8-methoxy-1,2,3,4-tetrahydropyrazin[1,2-a]indol-2-ium-10-carboxylic acid ethyl ester Formula: C22H24BrN2O3+ MolecularWeight: 444.34156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C[NH+](CCN2C3=CC(=C(C=C31)OC)Br)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C2C[NH+](CCN2C3=CC(=C(C=C31)OC)Br)CC4=CC=CC=C4

InChI

InChI=1S/C22H23BrN2O3/c1-3-28-22(26)21-16-11-20(27-2)17(23)12-18(16)25-10-9-24(14-19(21)25)13-15-7-5-4-6-8-15/h4-8,11-12H,3,9-10,13-14H2,1-2H3/p+1