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

Systemtic Name: 1-phenyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-phenyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[4-(1-oxopropyl)-1-piperazinyl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-phenyl-3-(4-propanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-phenyl-3-(4-propionylpiperazino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=[NH+]C(=C3CCCCC3=C2C#N)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=[NH+]C(=C3CCCCC3=C2C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c1-2-21(28)26-12-14-27(15-13-26)23-20(16-24)18-10-6-7-11-19(18)22(25-23)17-8-4-3-5-9-17/h3-5,8-9H,2,6-7,10-15H2,1H3/p+1