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

Systemtic Name: 3-(cyclohexylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(cyclohexylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(cyclohexylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(cyclohexylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(cyclohexylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C19H28N3+ MolecularWeight: 298.44572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCCC2=C(C(=[NH+]1)NC3CCCCC3)C#N

Isomeric SMILES

CCCC1=C2CCCCC2=C(C(=[NH+]1)NC3CCCCC3)C#N

InChI

InChI=1S/C19H27N3/c1-2-8-18-16-12-7-6-11-15(16)17(13-20)19(22-18)21-14-9-4-3-5-10-14/h14H,2-12H2,1H3,(H,21,22)/p+1