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

Systemtic Name: N-[3-[2-[[4-(2-hydroxyethyl)-3-methyl-piperazin-1-yl]methyl]phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-[2-[[4-(2-hydroxyethyl)-3-methyl-piperazin-1-yl]methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3-[2-[[4-(2-hydroxyethyl)-3-methyl-1-piperazinyl]methyl]phenoxy]propyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-[2-[[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]methyl]phenoxy]propyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-[2-[[4-(2-hydroxyethyl)-3-methyl-piperazino]methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C23H32N4O4 MolecularWeight: 428.52458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CCO)CC2=CC=CC=C2OCCCNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC1CN(CCN1CCO)CC2=CC=CC=C2OCCCNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C23H32N4O4/c1-19-16-25(11-12-26(19)13-14-28)17-20-6-2-3-8-22(20)31-15-5-9-24-23(29)21-7-4-10-27(30)18-21/h2-4,6-8,10,18-19,28H,5,9,11-17H2,1H3,(H,24,29)