[5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-thiomorpholin-4-yl-methanone

Systemtic Name: [5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-thiomorpholin-4-yl-methanone Openeye Name: [5-methyl-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-thiomorpholino-methanone CAS Name: [5-methyl-2-[[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-thiomorpholin-4-ylmethanone Traditional Name: [5-methyl-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-thiomorpholino-methanone Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)N4CCSCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)N4CCSCC4

InChI

InChI=1S/C23H29N3O2S/c1-18-2-3-22(21(16-18)23(27)26-12-14-29-15-13-26)28-20-6-10-25(11-7-20)17-19-4-8-24-9-5-19/h2-5,8-9,16,20H,6-7,10-15,17H2,1H3/p+1