1-oxidanidyl-N-[3-[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenoxy]propyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-oxidanidyl-N-[3-[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenoxy]propyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-oxido-N-[3-[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenoxy]propyl]pyridin-1-ium-3-carboxamide CAS Name: 1-oxido-N-[3-[2-[(3,4,5-trimethyl-1-piperazinyl)methyl]phenoxy]propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-oxido-N-[3-[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenoxy]propyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-oxido-N-[3-[2-[(3,4,5-trimethylpiperazino)methyl]phenoxy]propyl]pyridin-1-ium-3-carboxamide Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C)C)CC2=CC=CC=C2OCCCNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC1CN(CC(N1C)C)CC2=CC=CC=C2OCCCNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C23H32N4O3/c1-18-14-26(15-19(2)25(18)3)16-20-8-4-5-10-22(20)30-13-7-11-24-23(28)21-9-6-12-27(29)17-21/h4-6,8-10,12,17-19H,7,11,13-16H2,1-3H3,(H,24,28)