ethyl 4-[7-(pyridin-4-ylcarbonylamino)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[7-(pyridin-4-ylcarbonylamino)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[7-(pyridine-4-carbonylamino)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]piperidine-1-carboxylate CAS Name: 4-[7-[[oxo(pyridin-4-yl)methyl]amino]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[7-(pyridine-4-carbonylamino)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]piperidine-1-carboxylate Traditional Name: 4-(7-isonicotinamido-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidine-1-carboxylic acid ethyl ester Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C23H28N4O3/c1-2-30-23(29)26-13-8-21(9-14-26)27-12-7-17-3-4-20(15-19(17)16-27)25-22(28)18-5-10-24-11-6-18/h3-6,10-11,15,21H,2,7-9,12-14,16H2,1H3,(H,25,28)/p+1