3-[(quinolin-1-ium-5-ylamino)methyl]benzenecarbonitrile

Systemtic Name: 3-[(quinolin-1-ium-5-ylamino)methyl]benzenecarbonitrile Openeye Name: 3-[(quinolin-1-ium-5-ylamino)methyl]benzonitrile CAS Name: 3-[(5-quinolin-1-iumylamino)methyl]benzonitrile IUPAC Name: 3-[(quinolin-1-ium-5-ylamino)methyl]benzonitrile Traditional Name: 3-[(quinolin-1-ium-5-ylamino)methyl]benzonitrile Formula: C17H14N3+ MolecularWeight: 260.31316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC2=CC=CC3=C2C=CC=[NH+]3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=CC=CC3=C2C=CC=[NH+]3)C#N

InChI

InChI=1S/C17H13N3/c18-11-13-4-1-5-14(10-13)12-20-17-8-2-7-16-15(17)6-3-9-19-16/h1-10,20H,12H2/p+1