2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-2-oxidanylidene-N-(3-oxidanylpropyl)ethanamide

Systemtic Name: 2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-2-oxidanylidene-N-(3-oxidanylpropyl)ethanamide Openeye Name: 2-[4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-N-(3-hydroxypropyl)-2-oxo-acetamide CAS Name: 2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-1-piperazinyl]-N-(3-hydroxypropyl)-2-oxoacetamide IUPAC Name: 2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-N-(3-hydroxypropyl)-2-oxoacetamide Traditional Name: 2-[4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazino]-N-(3-hydroxypropyl)-2-keto-acetamide Formula: C22H32N5O3+ MolecularWeight: 414.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)NCCCO)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)NCCCO)C#N

InChI

InChI=1S/C22H31N5O3/c1-15(2)19-17-7-4-3-6-16(17)18(14-23)20(25-19)26-9-11-27(12-10-26)22(30)21(29)24-8-5-13-28/h15,28H,3-13H2,1-2H3,(H,24,29)/p+1