3-chloranyl-7-cyclohexyl-1-(prop-2-enylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile

Systemtic Name: 3-chloranyl-7-cyclohexyl-1-(prop-2-enylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 1-(allylamino)-3-chloro-7-cyclohexyl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 3-chloro-7-cyclohexyl-1-(prop-2-enylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 3-chloro-7-cyclohexyl-1-(prop-2-enylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 1-(allylamino)-3-chloro-7-cyclohexyl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C18H25ClN4+2 MolecularWeight: 332.8709

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C2C[NH+](CCC2=C(C(=[NH+]1)Cl)C#N)C3CCCCC3

Isomeric SMILES

C=CCNC1=C2C[NH+](CCC2=C(C(=[NH+]1)Cl)C#N)C3CCCCC3

InChI

InChI=1S/C18H23ClN4/c1-2-9-21-18-16-12-23(13-6-4-3-5-7-13)10-8-14(16)15(11-20)17(19)22-18/h2,13H,1,3-10,12H2,(H,21,22)/p+2