1-butyl-3-(cyclohexylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-butyl-3-(cyclohexylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-butyl-3-(cyclohexylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-butyl-3-(cyclohexylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-butyl-3-(cyclohexylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-butyl-3-(cyclohexylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C20H30N3+ MolecularWeight: 312.4723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCC2=C(C(=[NH+]1)NC3CCCCC3)C#N

Isomeric SMILES

CCCCC1=C2CCCCC2=C(C(=[NH+]1)NC3CCCCC3)C#N

InChI

InChI=1S/C20H29N3/c1-2-3-13-19-17-12-8-7-11-16(17)18(14-21)20(23-19)22-15-9-5-4-6-10-15/h15H,2-13H2,1H3,(H,22,23)/p+1