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

Systemtic Name: 1-methyl-3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethanoyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-methyl-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-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-methyl-3-[4-(2-oxo-2-piperidin-1-ylacetyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[4-(2-keto-2-piperidino-acetyl)piperazino]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)N4CCCCC4)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)N4CCCCC4)C#N

InChI

InChI=1S/C22H29N5O2/c1-16-17-7-3-4-8-18(17)19(15-23)20(24-16)25-11-13-27(14-12-25)22(29)21(28)26-9-5-2-6-10-26/h2-14H2,1H3/p+1