(5-methoxy-2-oxidanyl-phenyl)methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: (5-methoxy-2-oxidanyl-phenyl)methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: (2-hydroxy-5-methoxy-phenyl)methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: (2-hydroxy-5-methoxyphenyl)methyl-[3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: (2-hydroxy-5-methoxyphenyl)methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: (2-hydroxy-5-methoxy-benzyl)-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C16H29N3O2+2 MolecularWeight: 295.42036

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC[NH2+]CC2=C(C=CC(=C2)OC)O

Isomeric SMILES

C[NH+]1CCN(CC1)CCC[NH2+]CC2=C(C=CC(=C2)OC)O

InChI

InChI=1S/C16H27N3O2/c1-18-8-10-19(11-9-18)7-3-6-17-13-14-12-15(21-2)4-5-16(14)20/h4-5,12,17,20H,3,6-11,13H2,1-2H3/p+2