N-[3-[4-[(4-bromophenyl)-phenoxy-methyl]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-[4-[(4-bromophenyl)-phenoxy-methyl]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-[4-[(4-bromophenyl)-phenoxy-methyl]-1-piperidyl]butyl]-2,4-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3-[4-[(4-bromophenyl)-phenoxymethyl]-1-piperidinyl]butyl]-2,4-dimethyl-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-[4-[(4-bromophenyl)-phenoxymethyl]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-[4-[(4-bromophenyl)-phenoxy-methyl]piperidino]butyl]-2,4-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C30H36BrN3O3 MolecularWeight: 566.52914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](C=C1)[O-])C)C(=O)NCCC(C)N2CCC(CC2)C(C3=CC=C(C=C3)Br)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=[N+](C=C1)[O-])C)C(=O)NCCC(C)N2CCC(CC2)C(C3=CC=C(C=C3)Br)OC4=CC=CC=C4

InChI

InChI=1S/C30H36BrN3O3/c1-21-14-20-34(36)23(3)28(21)30(35)32-17-13-22(2)33-18-15-25(16-19-33)29(24-9-11-26(31)12-10-24)37-27-7-5-4-6-8-27/h4-12,14,20,22,25,29H,13,15-19H2,1-3H3,(H,32,35)