1-(1,3-benzothiazol-2-yl)-1-(oxolan-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-1-(oxolan-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-1-(tetrahydrofuran-2-ylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-1-(2-oxolanylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-1-(oxolan-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-1-(tetrahydrofurfuryl)piperidin-1-ium-4-carboxamide Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[N+]2(CCC(CC2)C(=O)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(OC1)C[N+]2(CCC(CC2)C(=O)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H23N3O2S/c19-17(22)13-7-9-21(10-8-13,12-14-4-3-11-23-14)18-20-15-5-1-2-6-16(15)24-18/h1-2,5-6,13-14H,3-4,7-12H2,(H-,19,22)/p+1