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

Systemtic Name: 1-methyl-3-(4-methylpiperazin-4-ium-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-methyl-3-(4-methylpiperazin-4-ium-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-methyl-3-(4-methyl-1-piperazin-4-iumyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-methyl-3-(4-methylpiperazin-4-ium-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-methyl-3-(4-methylpiperazin-4-ium-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C16H24N4+2 MolecularWeight: 272.38856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)N3CC[NH+](CC3)C)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)N3CC[NH+](CC3)C)C#N

InChI

InChI=1S/C16H22N4/c1-12-13-5-3-4-6-14(13)15(11-17)16(18-12)20-9-7-19(2)8-10-20/h3-10H2,1-2H3/p+2