3-(4-methylpiperazin-4-ium-1-yl)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H27N4+ MolecularWeight: 299.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCCC2=C(C(=N1)N3CC[NH+](CC3)C)C#N

Isomeric SMILES

CCCC1=C2CCCCC2=C(C(=N1)N3CC[NH+](CC3)C)C#N

InChI

InChI=1S/C18H26N4/c1-3-6-17-15-8-5-4-7-14(15)16(13-19)18(20-17)22-11-9-21(2)10-12-22/h3-12H2,1-2H3/p+1