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

Systemtic Name: 1-oxidanidyl-N-phenoxy-4-phenylmethoxy-N-(4-piperidin-1-ylbutyl)pyridin-1-ium-2-amine Openeye Name: 4-benzyloxy-1-oxido-N-phenoxy-N-[4-(1-piperidyl)butyl]pyridin-1-ium-2-amine CAS Name: 1-oxido-N-phenoxy-4-phenylmethoxy-N-[4-(1-piperidinyl)butyl]-2-pyridin-1-iumamine IUPAC Name: 1-oxido-N-phenoxy-4-phenylmethoxy-N-(4-piperidin-1-ylbutyl)pyridin-1-ium-2-amine Traditional Name: (4-benzoxy-1-oxido-pyridin-1-ium-2-yl)-phenoxy-(4-piperidinobutyl)amine Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCN(C2=[N+](C=CC(=C2)OCC3=CC=CC=C3)[O-])OC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCCCN(C2=[N+](C=CC(=C2)OCC3=CC=CC=C3)[O-])OC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3/c31-29-21-16-26(32-23-24-12-4-1-5-13-24)22-27(29)30(33-25-14-6-2-7-15-25)20-11-10-19-28-17-8-3-9-18-28/h1-2,4-7,12-16,21-22H,3,8-11,17-20,23H2