3-(phenylmethyl)-5H-pyrimido[5,4-b]indol-3-ium

Systemtic Name: 3-(phenylmethyl)-5H-pyrimido[5,4-b]indol-3-ium Openeye Name: 3-benzyl-5H-pyrimido[5,4-b]indol-3-ium CAS Name: 3-(phenylmethyl)-5H-pyrimido[5,4-b]indol-3-ium IUPAC Name: 3-benzyl-5H-pyrimido[5,4-b]indol-3-ium Traditional Name: 3-benzyl-5H-pyrimid[5,4-b]indol-3-ium Formula: C17H14N3+ MolecularWeight: 260.31316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CN=C3C4=CC=CC=C4NC3=C2

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CN=C3C4=CC=CC=C4NC3=C2

InChI

InChI=1S/C17H13N3/c1-2-6-13(7-3-1)10-20-11-16-17(18-12-20)14-8-4-5-9-15(14)19-16/h1-9,11-12H,10H2/p+1