3-chloranyl-7-methyl-1-[(phenylmethyl)amino]-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile

Systemtic Name: 3-chloranyl-7-methyl-1-[(phenylmethyl)amino]-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 1-(benzylamino)-3-chloro-7-methyl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 3-chloro-7-methyl-1-[(phenylmethyl)amino]-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 1-(benzylamino)-3-chloro-7-methyl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 1-(benzylamino)-3-chloro-7-methyl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C17H19ClN4+2 MolecularWeight: 314.81256

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)NCC3=CC=CC=C3)Cl)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)NCC3=CC=CC=C3)Cl)C#N

InChI

InChI=1S/C17H17ClN4/c1-22-8-7-13-14(9-19)16(18)21-17(15(13)11-22)20-10-12-5-3-2-4-6-12/h2-6H,7-8,10-11H2,1H3,(H,20,21)/p+2