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

Systemtic Name: N-[3-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenoxy]propyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3-[2-[(3,4-dimethyl-1-piperazinyl)methyl]phenoxy]propyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenoxy]propyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-[2-[(3,4-dimethylpiperazino)methyl]phenoxy]propyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C)CC2=CC=CC=C2OCCCNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC1CN(CCN1C)CC2=CC=CC=C2OCCCNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C22H30N4O3/c1-18-15-25(13-12-24(18)2)16-19-7-3-4-9-21(19)29-14-6-10-23-22(27)20-8-5-11-26(28)17-20/h3-5,7-9,11,17-18H,6,10,12-16H2,1-2H3,(H,23,27)