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

Systemtic Name: 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-methyl-3-[4-(1-oxopropyl)-1-piperazinyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-methyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-methyl-3-(4-propionylpiperazino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O/c1-3-17(23)21-8-10-22(11-9-21)18-16(12-19)15-7-5-4-6-14(15)13(2)20-18/h3-11H2,1-2H3/p+1