[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-quinolin-1-ium-3-yl]methylazanium

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-quinolin-1-ium-3-yl]methylazanium Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-quinolin-1-ium-3-yl]methylammonium CAS Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-3-quinolin-1-iumyl]methylammonium IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylquinolin-1-ium-3-yl]methylazanium Traditional Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-quinolin-1-ium-3-yl]methylammonium Formula: C21H25N3+2 MolecularWeight: 319.4433

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC(=C([NH+]=C2C=C1)N3CCC4=CC=CC=C4C3)C[NH3+]

Isomeric SMILES

CCC1=CC2=CC(=C([NH+]=C2C=C1)N3CCC4=CC=CC=C4C3)C[NH3+]

InChI

InChI=1S/C21H23N3/c1-2-15-7-8-20-18(11-15)12-19(13-22)21(23-20)24-10-9-16-5-3-4-6-17(16)14-24/h3-8,11-12H,2,9-10,13-14,22H2,1H3/p+2