2-(benzotriazol-1-ylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium

Systemtic Name: 2-(benzotriazol-1-ylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Openeye Name: 2-(benzotriazol-1-ylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium CAS Name: 2-(1-benzotriazolylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium IUPAC Name: 2-(benzotriazol-1-ylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Traditional Name: 2-(benzotriazol-1-ylmethyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium Formula: C18H18N5+ MolecularWeight: 304.36902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C3=CC=CC=C3N2)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1C[NH+](CC2=C1C3=CC=CC=C3N2)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C18H17N5/c1-2-6-15-13(5-1)14-9-10-22(11-17(14)19-15)12-23-18-8-4-3-7-16(18)20-21-23/h1-8,19H,9-12H2/p+1