[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methoxy-4-oxidanyl-phenyl)ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3O2/c1-3-17-6-8-18(9-7-17)13(11-16)12-4-5-14(19)15(10-12)20-2/h4-5,10,13,19H,3,6-9,11,16H2,1-2H3/p+2/t13-/m1/s1