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

Systemtic Name: 1-methyl-3-(4-pentanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-methyl-3-(4-pentanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-methyl-3-[4-(1-oxopentyl)-1-piperazinyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-methyl-3-(4-pentanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-methyl-3-(4-valerylpiperazino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O/c1-3-4-9-19(25)23-10-12-24(13-11-23)20-18(14-21)17-8-6-5-7-16(17)15(2)22-20/h3-13H2,1-2H3/p+1