3-[(2S)-5-(diethylamino)pentan-2-yl]-4-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-1,3-thiazol-3-ium-2-amine

Systemtic Name: 3-[(2S)-5-(diethylamino)pentan-2-yl]-4-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-1,3-thiazol-3-ium-2-amine Openeye Name: 3-[(1S)-4-(diethylamino)-1-methyl-butyl]-4-(2,5-dimethoxyphenyl)-N-(3-pyridyl)thiazol-3-ium-2-amine CAS Name: 3-[(2S)-5-(diethylamino)pentan-2-yl]-4-(2,5-dimethoxyphenyl)-N-(3-pyridinyl)-2-thiazol-3-iumamine IUPAC Name: 3-[(2S)-5-(diethylamino)pentan-2-yl]-4-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-1,3-thiazol-3-ium-2-amine Traditional Name: [(4S)-4-[4-(2,5-dimethoxyphenyl)-2-(3-pyridylamino)thiazol-3-ium-3-yl]pentyl]-diethyl-amine Formula: C25H35N4O2S+ MolecularWeight: 455.636

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)[N+]1=C(SC=C1C2=C(C=CC(=C2)OC)OC)NC3=CN=CC=C3

Isomeric SMILES

CCN(CC)CCC[C@H](C)[N+]1=C(SC=C1C2=C(C=CC(=C2)OC)OC)NC3=CN=CC=C3

InChI

InChI=1S/C25H34N4O2S/c1-6-28(7-2)15-9-10-19(3)29-23(22-16-21(30-4)12-13-24(22)31-5)18-32-25(29)27-20-11-8-14-26-17-20/h8,11-14,16-19H,6-7,9-10,15H2,1-5H3/p+1/t19-/m0/s1