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

Systemtic Name: 3-chloranyl-7-ethyl-1-[(phenylmethyl)amino]-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 1-(benzylamino)-3-chloro-7-ethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 3-chloro-7-ethyl-1-[(phenylmethyl)amino]-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 1-(benzylamino)-3-chloro-7-ethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 1-(benzylamino)-3-chloro-7-ethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C18H21ClN4+2 MolecularWeight: 328.83914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4/c1-2-23-9-8-14-15(10-20)17(19)22-18(16(14)12-23)21-11-13-6-4-3-5-7-13/h3-7H,2,8-9,11-12H2,1H3,(H,21,22)/p+2