7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylbutylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile

Systemtic Name: 7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylbutylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 7-ethyl-1-(2-furylmethylamino)-3-(isopentylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 7-ethyl-1-(2-furanylmethylamino)-3-(3-methylbutylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 7-ethyl-1-(furan-2-ylmethylamino)-3-(3-methylbutylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 7-ethyl-1-(2-furfurylamino)-3-(isoamylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C21H31N5O+2 MolecularWeight: 369.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C(=[NH+]C(=C2C1)NCC3=CC=CO3)NCCC(C)C)C#N

Isomeric SMILES

CC[NH+]1CCC2=C(C(=[NH+]C(=C2C1)NCC3=CC=CO3)NCCC(C)C)C#N

InChI

InChI=1S/C21H29N5O/c1-4-26-10-8-17-18(12-22)20(23-9-7-15(2)3)25-21(19(17)14-26)24-13-16-6-5-11-27-16/h5-6,11,15H,4,7-10,13-14H2,1-3H3,(H2,23,24,25)/p+2