3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethanoyl)piperazin-1-yl]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethanoyl)piperazin-1-yl]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-isopropyl-3-[4-[2-oxo-2-(1-piperidyl)acetyl]piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[4-[1,2-dioxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(2-oxo-2-piperidin-1-ylacetyl)piperazin-1-yl]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-isopropyl-3-[4-(2-keto-2-piperidino-acetyl)piperazino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C24H34N5O2+ MolecularWeight: 424.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)N4CCCCC4)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)N4CCCCC4)C#N

InChI

InChI=1S/C24H33N5O2/c1-17(2)21-19-9-5-4-8-18(19)20(16-25)22(26-21)27-12-14-29(15-13-27)24(31)23(30)28-10-6-3-7-11-28/h17H,3-15H2,1-2H3/p+1