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

Systemtic Name: 3-(4-butanoylpiperazin-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(4-butanoylpiperazin-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-methyl-3-[4-(1-oxobutyl)-1-piperazinyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(4-butanoylpiperazin-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(4-butyrylpiperazino)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=[NH+]C(=C3CCCCC3=C2C#N)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=[NH+]C(=C3CCCCC3=C2C#N)C

InChI

InChI=1S/C19H26N4O/c1-3-6-18(24)22-9-11-23(12-10-22)19-17(13-20)16-8-5-4-7-15(16)14(2)21-19/h3-12H2,1-2H3/p+1