1-phenyl-3-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-phenyl-3-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-phenyl-3-(1-piperidyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-phenyl-3-(1-piperidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-phenyl-3-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-phenyl-3-piperidino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C21H24N3+ MolecularWeight: 318.43536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=[NH+]C(=C3CCCCC3=C2C#N)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=[NH+]C(=C3CCCCC3=C2C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3/c22-15-19-17-11-5-6-12-18(17)20(16-9-3-1-4-10-16)23-21(19)24-13-7-2-8-14-24/h1,3-4,9-10H,2,5-8,11-14H2/p+1