(4S)-4-[4-(diethylamino)phenyl]-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-amine

Systemtic Name: (4S)-4-[4-(diethylamino)phenyl]-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-amine Openeye Name: (4S)-4-[4-(diethylamino)phenyl]-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-amine CAS Name: (4S)-4-[4-(diethylamino)phenyl]-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-amine IUPAC Name: (4S)-4-[4-(diethylamino)phenyl]-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-amine Traditional Name: [4-[(4S)-2-amino-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-4-yl]phenyl]-diethyl-amine Formula: C19H23N6+ MolecularWeight: 335.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2N=C(NC3=[N+]2C4=CC=CC=C4N3)N

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)[C@H]2N=C(NC3=[N+]2C4=CC=CC=C4N3)N

InChI

InChI=1S/C19H22N6/c1-3-24(4-2)14-11-9-13(10-12-14)17-22-18(20)23-19-21-15-7-5-6-8-16(15)25(17)19/h5-12,17H,3-4H2,1-2H3,(H3,20,21,22,23)/p+1/t17-/m0/s1