3-[(3R)-1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[(5-chloro-2-hydroxy-phenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(5-chloro-2-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(5-chloro-2-hydroxy-benzyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazino)propan-1-one Formula: C20H31ClN3O2+ MolecularWeight: 380.93204

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC2CCC[NH+](C2)CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CN1CCN(CC1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C20H30ClN3O2/c1-22-9-11-24(12-10-22)20(26)7-4-16-3-2-8-23(14-16)15-17-13-18(21)5-6-19(17)25/h5-6,13,16,25H,2-4,7-12,14-15H2,1H3/p+1/t16-/m1/s1