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

Systemtic Name: 1-butyl-3-(pentylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-butyl-3-(pentylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-butyl-3-(pentylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-butyl-3-(pentylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(amylamino)-1-butyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C19H30N3+ MolecularWeight: 300.4616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3/c1-3-5-9-13-21-19-17(14-20)15-10-7-8-11-16(15)18(22-19)12-6-4-2/h3-13H2,1-2H3,(H,21,22)/p+1