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

Systemtic Name: 3-(pentylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(pentylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(pentylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(pentylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(amylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C18H28N3+ MolecularWeight: 286.43502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=[NH+]C(=C2CCCCC2=C1C#N)CCC

Isomeric SMILES

CCCCCNC1=[NH+]C(=C2CCCCC2=C1C#N)CCC

InChI

InChI=1S/C18H27N3/c1-3-5-8-12-20-18-16(13-19)14-10-6-7-11-15(14)17(21-18)9-4-2/h3-12H2,1-2H3,(H,20,21)/p+1