2-[1-[3-(3-methoxyphenoxy)propyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[3-(3-methoxyphenoxy)propyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[3-(3-methoxyphenoxy)propyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[3-(3-methoxyphenoxy)propyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[3-(3-methoxyphenoxy)propyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[3-(3-methoxyphenoxy)propyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCCC[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=CC=C1)OCCC[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N2O2S/c1-25-18-6-4-7-19(16-18)26-15-5-12-24-13-10-17(11-14-24)22-23-20-8-2-3-9-21(20)27-22/h2-4,6-9,16-17H,5,10-15H2,1H3/p+1