[2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]-thiomorpholin-4-yl-methanone

Systemtic Name: [2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]-thiomorpholin-4-yl-methanone Openeye Name: [2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]-thiomorpholino-methanone CAS Name: [2-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]-5-methoxyphenyl]-thiomorpholin-4-ylmethanone IUPAC Name: [2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxyphenyl]-thiomorpholin-4-ylmethanone Traditional Name: [2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]-thiomorpholino-methanone Formula: C22H33N2O3S+ MolecularWeight: 405.57402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC2CC[NH+](CC2)C3CCCC3)C(=O)N4CCSCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC2CC[NH+](CC2)C3CCCC3)C(=O)N4CCSCC4

InChI

InChI=1S/C22H32N2O3S/c1-26-19-6-7-21(20(16-19)22(25)24-12-14-28-15-13-24)27-18-8-10-23(11-9-18)17-4-2-3-5-17/h6-7,16-18H,2-5,8-15H2,1H3/p+1