3-[4-(2-morpholin-4-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-morpholin-4-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-morpholino-2-oxo-acetyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[4-[2-(4-morpholinyl)-1,2-dioxoethyl]-1-piperazinyl]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(2-morpholin-4-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-morpholino-acetyl)piperazino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)N4CCOCC4)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)N4CCOCC4)C#N

InChI

InChI=1S/C23H31N5O3/c1-16(2)20-18-6-4-3-5-17(18)19(15-24)21(25-20)26-7-9-27(10-8-26)22(29)23(30)28-11-13-31-14-12-28/h16H,3-14H2,1-2H3/p+1