1-(azepan-1-yl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanone Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H25N3OS/c23-18(21-11-5-1-2-6-12-21)14-22-13-7-9-16(22)19-20-15-8-3-4-10-17(15)24-19/h3-4,8,10,16H,1-2,5-7,9,11-14H2/p+1/t16-/m1/s1