2-[4-(4-cyano-1-methyl-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-methyl-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-methyl-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-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-1-piperazinyl]-N-(3-hydroxypropyl)-2-oxoacetamide IUPAC Name: 2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-N-(3-hydroxypropyl)-2-oxoacetamide Traditional Name: 2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazino]-N-(3-hydroxypropyl)-2-keto-acetamide Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)NCCCO)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)NCCCO)C#N

InChI

InChI=1S/C20H27N5O3/c1-14-15-5-2-3-6-16(15)17(13-21)18(23-14)24-8-10-25(11-9-24)20(28)19(27)22-7-4-12-26/h26H,2-12H2,1H3,(H,22,27)/p+1