2-(4-chloranyl-2-methyl-phenoxy)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide Formula: C20H32ClN3O2+2 MolecularWeight: 381.93998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2CCC[NH+](C2)C3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)N[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)C

InChI

InChI=1S/C20H30ClN3O2/c1-15-12-16(21)5-6-19(15)26-14-20(25)22-17-4-3-9-24(13-17)18-7-10-23(2)11-8-18/h5-6,12,17-18H,3-4,7-11,13-14H2,1-2H3,(H,22,25)/p+2/t17-/m0/s1