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

Systemtic Name: 3-[4-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethanoyl]piperazin-1-yl]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-isopropyl-3-[4-[2-(4-methyl-1-piperidyl)-2-oxo-acetyl]piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[4-[2-(4-methyl-1-piperidinyl)-1,2-dioxoethyl]-1-piperazinyl]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoacetyl]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-(4-methylpiperidino)acetyl]piperazino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C25H36N5O2+ MolecularWeight: 438.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(=O)N2CCN(CC2)C3=[NH+]C(=C4CCCCC4=C3C#N)C(C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C(=O)N2CCN(CC2)C3=[NH+]C(=C4CCCCC4=C3C#N)C(C)C

InChI

InChI=1S/C25H35N5O2/c1-17(2)22-20-7-5-4-6-19(20)21(16-26)23(27-22)28-12-14-30(15-13-28)25(32)24(31)29-10-8-18(3)9-11-29/h17-18H,4-15H2,1-3H3/p+1