1-methyl-2-[(pyridin-1-ium-2-ylamino)methyl]indole-3-carbonitrile

Systemtic Name: 1-methyl-2-[(pyridin-1-ium-2-ylamino)methyl]indole-3-carbonitrile Openeye Name: 1-methyl-2-[(pyridin-1-ium-2-ylamino)methyl]indole-3-carbonitrile CAS Name: 1-methyl-2-[(2-pyridin-1-iumylamino)methyl]-3-indolecarbonitrile IUPAC Name: 1-methyl-2-[(pyridin-1-ium-2-ylamino)methyl]indole-3-carbonitrile Traditional Name: 1-methyl-2-[(pyridin-1-ium-2-ylamino)methyl]indole-3-carbonitrile Formula: C16H15N4+ MolecularWeight: 263.3171

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1CNC3=CC=CC=[NH+]3)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1CNC3=CC=CC=[NH+]3)C#N

InChI

InChI=1S/C16H14N4/c1-20-14-7-3-2-6-12(14)13(10-17)15(20)11-19-16-8-4-5-9-18-16/h2-9H,11H2,1H3,(H,18,19)/p+1