3-(4-methylpiperazin-4-ium-1-yl)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-isopropyl-3-(4-methylpiperazin-4-ium-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-isopropyl-3-(4-methylpiperazin-4-ium-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C18H28N4+2 MolecularWeight: 300.44172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4/c1-13(2)17-15-7-5-4-6-14(15)16(12-19)18(20-17)22-10-8-21(3)9-11-22/h13H,4-11H2,1-3H3/p+2