[4-[4-[(4-bromophenyl)-pyridin-2-yloxy-methyl]piperidin-1-yl]-4-methyl-piperidin-1-yl]-(1-oxidanidylquinolin-1-ium-5-yl)methanone

Systemtic Name: [4-[4-[(4-bromophenyl)-pyridin-2-yloxy-methyl]piperidin-1-yl]-4-methyl-piperidin-1-yl]-(1-oxidanidylquinolin-1-ium-5-yl)methanone Openeye Name: [4-[4-[(4-bromophenyl)-(2-pyridyloxy)methyl]-1-piperidyl]-4-methyl-1-piperidyl]-(1-oxidoquinolin-1-ium-5-yl)methanone CAS Name: [4-[4-[(4-bromophenyl)-(2-pyridinyloxy)methyl]-1-piperidinyl]-4-methyl-1-piperidinyl]-(1-oxido-5-quinolin-1-iumyl)methanone IUPAC Name: [4-[4-[(4-bromophenyl)-pyridin-2-yloxymethyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(1-oxidoquinolin-1-ium-5-yl)methanone Traditional Name: [4-[4-[(4-bromophenyl)-(2-pyridyloxy)methyl]piperidino]-4-methyl-piperidino]-(1-oxidoquinolin-1-ium-5-yl)methanone Formula: C33H35BrN4O3 MolecularWeight: 615.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C(=O)C2=C3C=CC=[N+](C3=CC=C2)[O-])N4CCC(CC4)C(C5=CC=C(C=C5)Br)OC6=CC=CC=N6

Isomeric SMILES

CC1(CCN(CC1)C(=O)C2=C3C=CC=[N+](C3=CC=C2)[O-])N4CCC(CC4)C(C5=CC=C(C=C5)Br)OC6=CC=CC=N6

InChI

InChI=1S/C33H35BrN4O3/c1-33(16-22-36(23-17-33)32(39)28-6-4-8-29-27(28)7-5-19-38(29)40)37-20-14-25(15-21-37)31(24-10-12-26(34)13-11-24)41-30-9-2-3-18-35-30/h2-13,18-19,25,31H,14-17,20-23H2,1H3