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

Systemtic Name: [(3S)-3-(3-methoxy-4-oxidanyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [(3S)-3-(4-hydroxy-3-methoxy-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [(3S)-3-(4-hydroxy-3-methoxyphenyl)-3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(3S)-3-(4-hydroxy-3-methoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [(3S)-3-(4-hydroxy-3-methoxy-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C15H27N3O2+2 MolecularWeight: 281.39378

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CC[NH3+])C2=CC(=C(C=C2)O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](CC[NH3+])C2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C15H25N3O2/c1-17-7-9-18(10-8-17)13(5-6-16)12-3-4-14(19)15(11-12)20-2/h3-4,11,13,19H,5-10,16H2,1-2H3/p+2/t13-/m0/s1