3-(azepan-1-ium-1-ylmethyl)-5-chloranyl-1,3-benzoxazole-2-thione

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-5-chloranyl-1,3-benzoxazole-2-thione Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-5-chloro-1,3-benzoxazole-2-thione CAS Name: 3-(1-azepan-1-iumylmethyl)-5-chloro-1,3-benzoxazole-2-thione IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-5-chloro-1,3-benzoxazole-2-thione Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-5-chloro-1,3-benzoxazole-2-thione Formula: C14H18ClN2OS+ MolecularWeight: 297.82352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CN2C3=C(C=CC(=C3)Cl)OC2=S

Isomeric SMILES

C1CCC[NH+](CC1)CN2C3=C(C=CC(=C3)Cl)OC2=S

InChI

InChI=1S/C14H17ClN2OS/c15-11-5-6-13-12(9-11)17(14(19)18-13)10-16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10H2/p+1