1-oxidanidyl-N-phenoxy-4-phenylmethoxy-N-(1-piperidin-1-ylbutan-2-yl)pyridin-1-ium-2-amine

Systemtic Name: 1-oxidanidyl-N-phenoxy-4-phenylmethoxy-N-(1-piperidin-1-ylbutan-2-yl)pyridin-1-ium-2-amine Openeye Name: 4-benzyloxy-1-oxido-N-phenoxy-N-[1-(1-piperidylmethyl)propyl]pyridin-1-ium-2-amine CAS Name: 1-oxido-N-phenoxy-4-phenylmethoxy-N-[1-(1-piperidinyl)butan-2-yl]-2-pyridin-1-iumamine IUPAC Name: 1-oxido-N-phenoxy-4-phenylmethoxy-N-(1-piperidin-1-ylbutan-2-yl)pyridin-1-ium-2-amine Traditional Name: (4-benzoxy-1-oxido-pyridin-1-ium-2-yl)-phenoxy-[1-(piperidinomethyl)propyl]amine Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CCCCC1)N(C2=[N+](C=CC(=C2)OCC3=CC=CC=C3)[O-])OC4=CC=CC=C4

Isomeric SMILES

CCC(CN1CCCCC1)N(C2=[N+](C=CC(=C2)OCC3=CC=CC=C3)[O-])OC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3/c1-2-24(21-28-17-10-5-11-18-28)30(33-25-14-8-4-9-15-25)27-20-26(16-19-29(27)31)32-22-23-12-6-3-7-13-23/h3-4,6-9,12-16,19-20,24H,2,5,10-11,17-18,21-22H2,1H3