[3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[1-[(2-methyl-5-thiazolyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=NC=C(S1)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H27N3O2S/c1-16-22-14-20(27-16)15-23-11-7-18(8-12-23)26-19-6-4-5-17(13-19)21(25)24-9-2-3-10-24/h4-6,13-14,18H,2-3,7-12,15H2,1H3/p+1