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

Systemtic Name: [(2R)-2-(3-ethoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(3-ethoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(3-ethoxyphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(2R)-2-(3-ethoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(2R)-2-m-phenetyl-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C19H28N4O+2 MolecularWeight: 328.45182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCOC1=CC=CC(=C1)[C@H](C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H26N4O/c1-2-24-17-7-5-6-16(14-17)18(15-20)22-10-12-23(13-11-22)19-8-3-4-9-21-19/h3-9,14,18H,2,10-13,15,20H2,1H3/p+2/t18-/m0/s1