[(2R)-2-(4-methoxy-3-oxidanyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(4-methoxy-3-oxidanyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(3-hydroxy-4-methoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(3-hydroxy-4-methoxyphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(2R)-2-(3-hydroxy-4-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(3-hydroxy-4-methoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C18H26N4O2+2 MolecularWeight: 330.42464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3)O

InChI

InChI=1S/C18H24N4O2/c1-24-17-6-5-14(12-16(17)23)15(13-19)21-8-10-22(11-9-21)18-4-2-3-7-20-18/h2-7,12,15,23H,8-11,13,19H2,1H3/p+2/t15-/m0/s1