[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [1-[(5-chloro-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [1-[(5-chloro-2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [1-(5-chloro-2-hydroxy-benzyl)piperidin-1-ium-4-yl]-(4-methylpiperazino)methanone Formula: C18H27ClN3O2+ MolecularWeight: 352.87888

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C18H26ClN3O2/c1-20-8-10-22(11-9-20)18(24)14-4-6-21(7-5-14)13-15-12-16(19)2-3-17(15)23/h2-3,12,14,23H,4-11,13H2,1H3/p+1