dimethyl-(3-phenothiazin-10-ylpropyl)-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium

Systemtic Name: dimethyl-(3-phenothiazin-10-ylpropyl)-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium Openeye Name: dimethyl-(3-phenothiazin-10-ylpropyl)-[9-[4-[(2-phenylphenyl)carbamoyloxy]-1-piperidyl]nonyl]ammonium CAS Name: dimethyl-[9-[4-[oxo-(2-phenylanilino)methoxy]-1-piperidinyl]nonyl]-[3-(10-phenothiazinyl)propyl]ammonium IUPAC Name: dimethyl-(3-phenothiazin-10-ylpropyl)-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium Traditional Name: dimethyl-(3-phenothiazin-10-ylpropyl)-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidino]nonyl]ammonium Formula: C44H57N4O2S+ MolecularWeight: 706.01398

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCCCCCN1CCC(CC1)OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)CCCN4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C[N+](C)(CCCCCCCCCN1CCC(CC1)OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)CCCN4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C44H56N4O2S/c1-48(2,35-19-31-47-40-24-13-15-26-42(40)51-43-27-16-14-25-41(43)47)34-18-7-5-3-4-6-17-30-46-32-28-37(29-33-46)50-44(49)45-39-23-12-11-22-38(39)36-20-9-8-10-21-36/h8-16,20-27,37H,3-7,17-19,28-35H2,1-2H3/p+1