5-[3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-[3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[3-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)propyl]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[3-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-yl]amine Formula: C18H21N4S+ MolecularWeight: 325.45114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CCCC2=NN=C(S2)N)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=[N+]1CCCC2=NN=C(S2)N)C)C3=CC=CC=C3

InChI

InChI=1S/C18H21N4S/c1-13-11-16(15-7-4-3-5-8-15)12-14(2)22(13)10-6-9-17-20-21-18(19)23-17/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H2,19,21)/q+1