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

Systemtic Name: (3-methoxy-2-oxidanyl-phenyl)methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: (2-hydroxy-3-methoxy-phenyl)methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: (2-hydroxy-3-methoxyphenyl)methyl-[3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: (2-hydroxy-3-methoxyphenyl)methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: (2-hydroxy-3-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/c1-18-9-11-19(12-10-18)8-4-7-17-13-14-5-3-6-15(21-2)16(14)20/h3,5-6,17,20H,4,7-13H2,1-2H3/p+2