3-[4-(2-oxidanylidene-2-pyrrolidin-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-pyrrolidin-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-pyrrolidin-1-yl-acetyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[4-[1,2-dioxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(2-oxo-2-pyrrolidin-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-pyrrolidino-acetyl)piperazino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)N4CCCC4)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)N4CCCC4)C#N

InChI

InChI=1S/C23H31N5O2/c1-16(2)20-18-8-4-3-7-17(18)19(15-24)21(25-20)26-11-13-28(14-12-26)23(30)22(29)27-9-5-6-10-27/h16H,3-14H2,1-2H3/p+1