(5aR,9aS)-7-ethyl-2,4-dimethyl-5a,9a-dihydrobenzo[b][1,8]naphthyridin-10-ium-5-amine

Systemtic Name: (5aR,9aS)-7-ethyl-2,4-dimethyl-5a,9a-dihydrobenzo[b][1,8]naphthyridin-10-ium-5-amine Openeye Name: (5aR,9aS)-7-ethyl-2,4-dimethyl-5a,9a-dihydrobenzo[b][1,8]naphthyridin-10-ium-5-amine CAS Name: (5aR,9aS)-7-ethyl-2,4-dimethyl-5a,9a-dihydrobenzo[b][1,8]naphthyridin-10-ium-5-amine IUPAC Name: (5aR,9aS)-7-ethyl-2,4-dimethyl-5a,9a-dihydrobenzo[b][1,8]naphthyridin-10-ium-5-amine Traditional Name: [(5aR,9aS)-7-ethyl-2,4-dimethyl-5a,9a-dihydrobenzo[b][1,8]naphthyridin-10-ium-5-yl]amine Formula: C16H20N3+ MolecularWeight: 254.3501

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2C(C=C1)[NH+]=C3C(=C2N)C(=CC(=N3)C)C

Isomeric SMILES

CCC1=C[C@@H]2[C@H](C=C1)[NH+]=C3C(=C2N)C(=CC(=N3)C)C

InChI

InChI=1S/C16H19N3/c1-4-11-5-6-13-12(8-11)15(17)14-9(2)7-10(3)18-16(14)19-13/h5-8,12-13H,4,17H2,1-3H3/p+1/t12-,13+/m1/s1