1-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-N'-prop-2-enyl-methanediamine

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-N'-prop-2-enyl-methanediamine Openeye Name: N'-allyl-1-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)methanediamine CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-N'-prop-2-enylmethanediamine IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-N'-prop-2-enylmethanediamine Traditional Name: allyl-[amino(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)methyl]amine Formula: C13H18N3+ MolecularWeight: 216.30212

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=[N+]1CCC2=CC=CC=C2C1)N

Isomeric SMILES

C=CCNC(=[N+]1CCC2=CC=CC=C2C1)N

InChI

InChI=1S/C13H17N3/c1-2-8-15-13(14)16-9-7-11-5-3-4-6-12(11)10-16/h2-6H,1,7-10H2,(H2,14,15)/p+1