4-(azocan-1-ium-1-ylmethyl)-2-phenyl-1,3-thiazole

Systemtic Name: 4-(azocan-1-ium-1-ylmethyl)-2-phenyl-1,3-thiazole Openeye Name: 4-(azocan-1-ium-1-ylmethyl)-2-phenyl-thiazole CAS Name: 4-(1-azocan-1-iumylmethyl)-2-phenylthiazole IUPAC Name: 4-(azocan-1-ium-1-ylmethyl)-2-phenyl-1,3-thiazole Traditional Name: 4-(azocan-1-ium-1-ylmethyl)-2-phenyl-thiazole Formula: C17H23N2S+ MolecularWeight: 287.44292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N2S/c1-2-7-11-19(12-8-3-1)13-16-14-20-17(18-16)15-9-5-4-6-10-15/h4-6,9-10,14H,1-3,7-8,11-13H2/p+1