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

Systemtic Name: N-[3-[3-[(4-methylpiperazin-1-yl)methyl]phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-[3-[(4-methylpiperazin-1-yl)methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3-[3-[(4-methyl-1-piperazinyl)methyl]phenoxy]propyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-[3-[(4-methylpiperazin-1-yl)methyl]phenoxy]propyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-[3-[(4-methylpiperazino)methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C21H28N4O3/c1-23-10-12-24(13-11-23)16-18-5-2-7-20(15-18)28-14-4-8-22-21(26)19-6-3-9-25(27)17-19/h2-3,5-7,9,15,17H,4,8,10-14,16H2,1H3,(H,22,26)