N-[3-[4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-[4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-[4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3-[4-[[2-(2-hydroxyethyl)-1-piperazinyl]methyl]phenoxy]propyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-[4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]propyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-[4-[[2-(2-hydroxyethyl)piperazino]methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)CCO)CC2=CC=C(C=C2)OCCCNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1CN(C(CN1)CCO)CC2=CC=C(C=C2)OCCCNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C22H30N4O4/c27-13-8-20-15-23-10-12-25(20)16-18-4-6-21(7-5-18)30-14-2-9-24-22(28)19-3-1-11-26(29)17-19/h1,3-7,11,17,20,23,27H,2,8-10,12-16H2,(H,24,28)