3-(4-ethylpiperazin-4-ium-1-yl)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(4-ethylpiperazin-4-ium-1-yl)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(4-ethyl-1-piperazin-4-iumyl)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-yl)-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(4-ethylpiperazin-4-ium-1-yl)-1-isobutyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H31N4+ MolecularWeight: 327.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=C3CCCCC3=C2C#N)CC(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=C3CCCCC3=C2C#N)CC(C)C

InChI

InChI=1S/C20H30N4/c1-4-23-9-11-24(12-10-23)20-18(14-21)16-7-5-6-8-17(16)19(22-20)13-15(2)3/h15H,4-13H2,1-3H3/p+1