6,8-dimethyl-2-[(phenylmethyl)amino]quinolin-1-ium-3-carbonitrile

Systemtic Name: 6,8-dimethyl-2-[(phenylmethyl)amino]quinolin-1-ium-3-carbonitrile Openeye Name: 2-(benzylamino)-6,8-dimethyl-quinolin-1-ium-3-carbonitrile CAS Name: 6,8-dimethyl-2-[(phenylmethyl)amino]-3-quinolin-1-iumcarbonitrile IUPAC Name: 2-(benzylamino)-6,8-dimethylquinolin-1-ium-3-carbonitrile Traditional Name: 2-(benzylamino)-6,8-dimethyl-quinolin-1-ium-3-carbonitrile Formula: C19H18N3+ MolecularWeight: 288.36632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=[NH+]2)NCC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=[NH+]2)NCC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C19H17N3/c1-13-8-14(2)18-16(9-13)10-17(11-20)19(22-18)21-12-15-6-4-3-5-7-15/h3-10H,12H2,1-2H3,(H,21,22)/p+1