3-piperazin-4-ium-1-yl-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-piperazin-4-ium-1-yl-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-isopropyl-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(1-piperazin-4-iumyl)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-piperazin-4-ium-1-yl-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-isopropyl-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C17H26N4+2 MolecularWeight: 286.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)N3CC[NH2+]CC3)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)N3CC[NH2+]CC3)C#N

InChI

InChI=1S/C17H24N4/c1-12(2)16-14-6-4-3-5-13(14)15(11-18)17(20-16)21-9-7-19-8-10-21/h12,19H,3-10H2,1-2H3/p+2