N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)cyclohexanecarboxamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)cyclohexanecarboxamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)cyclohexanecarboxamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]cyclohexanecarboxamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)cyclohexanecarboxamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)cyclohexanecarboxamide Formula: C20H27ClN3O2S+ MolecularWeight: 408.96528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC[NH+]2CCOCC2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC[NH+]2CCOCC2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C20H26ClN3O2S/c21-16-7-4-8-17-18(16)22-20(27-17)24(10-9-23-11-13-26-14-12-23)19(25)15-5-2-1-3-6-15/h4,7-8,15H,1-3,5-6,9-14H2/p+1