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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)cyclohexanecarboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)cyclohexanecarboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]cyclohexanecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)cyclohexanecarboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)cyclohexanecarboxamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H29N3O2S/c25-20(17-7-2-1-3-8-17)24(12-6-11-23-13-15-26-16-14-23)21-22-18-9-4-5-10-19(18)27-21/h4-5,9-10,17H,1-3,6-8,11-16H2/p+1