[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Openeye Name: [1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone CAS Name: [1-(1,3-benzothiazol-2-ylmethyl)-4-piperidin-1-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Traditional Name: [1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O2S/c1-25-17-8-6-15(7-9-17)21(24)16-10-12-23(13-11-16)14-20-22-18-4-2-3-5-19(18)26-20/h2-9,16H,10-14H2,1H3/p+1