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

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(4-ethylpiperazin-4-ium-1-yl)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(4-ethyl-1-piperazin-4-iumyl)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-yl)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(4-ethylpiperazin-4-ium-1-yl)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C19H29N4+ MolecularWeight: 313.46036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4/c1-3-7-18-16-9-6-5-8-15(16)17(14-20)19(21-18)23-12-10-22(4-2)11-13-23/h3-13H2,1-2H3/p+1