azepan-1-yl-[1-[(6-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(6-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(6-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(6-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C20H27ClN3O2S+ MolecularWeight: 408.96528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)OC3=S

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)OC3=S

InChI

InChI=1S/C20H26ClN3O2S/c21-16-5-6-17-18(13-16)26-20(27)24(17)14-22-11-7-15(8-12-22)19(25)23-9-3-1-2-4-10-23/h5-6,13,15H,1-4,7-12,14H2/p+1