1-(azocan-1-yl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azocan-1-yl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanone CAS Name: 1-(1-azocanyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanone Traditional Name: 1-(azocan-1-yl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanone Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CCC1)C(=O)C[NH+]2CCCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H29N3OS/c25-20(23-13-7-2-1-3-8-14-23)16-24-15-9-6-11-18(24)21-22-17-10-4-5-12-19(17)26-21/h4-5,10,12,18H,1-3,6-9,11,13-16H2/p+1/t18-/m1/s1