2-oxidanylideneethyl N-[3-(1-isoquinolin-1-ylpiperidin-4-yl)propyl]-N-(methylamino)carbamate hydrochloride

Systemtic Name: 2-oxidanylideneethyl N-[3-(1-isoquinolin-1-ylpiperidin-4-yl)propyl]-N-(methylamino)carbamate hydrochloride Openeye Name: 2-oxoethyl N-[3-[1-(1-isoquinolyl)-4-piperidyl]propyl]-N-(methylamino)carbamate hydrochloride CAS Name: N-[3-[1-(1-isoquinolinyl)-4-piperidinyl]propyl]-N-(methylamino)carbamic acid 2-oxoethyl ester hydrochloride IUPAC Name: 2-oxoethyl N-[3-(1-isoquinolin-1-ylpiperidin-4-yl)propyl]-N-(methylamino)carbamate hydrochloride Traditional Name: N-[3-[1-(1-isoquinolyl)-4-piperidyl]propyl]-N-(methylamino)carbamic acid 2-ketoethyl ester hydrochloride Formula: C21H29ClN4O3 MolecularWeight: 420.93296

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Descriptors Computed from Structure

Canonical SMILES:

CNN(CCCC1CCN(CC1)C2=NC=CC3=CC=CC=C32)C(=O)OCC=O.Cl

Isomeric SMILES

CNN(CCCC1CCN(CC1)C2=NC=CC3=CC=CC=C32)C(=O)OCC=O.Cl

InChI

InChI=1S/C21H28N4O3.ClH/c1-22-25(21(27)28-16-15-26)12-4-5-17-9-13-24(14-10-17)20-19-7-3-2-6-18(19)8-11-23-20;/h2-3,6-8,11,15,17,22H,4-5,9-10,12-14,16H2,1H3;1H