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

Systemtic Name: [(2R)-2-(3-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(3-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(3-methoxyphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(2R)-2-(3-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(3-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C18H26N4O+2 MolecularWeight: 314.42524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O/c1-23-16-6-4-5-15(13-16)17(14-19)21-9-11-22(12-10-21)18-7-2-3-8-20-18/h2-8,13,17H,9-12,14,19H2,1H3/p+2/t17-/m0/s1