ethyl 4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H32N3O5+ MolecularWeight: 406.49588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C21H31N3O5/c1-4-29-21(26)24-9-6-17(7-10-24)22-20(25)14-23-8-5-15-11-18(27-2)19(28-3)12-16(15)13-23/h11-12,17H,4-10,13-14H2,1-3H3,(H,22,25)/p+1