10-[1-(1-phenacylpyrrolidin-1-ium-1-yl)propan-2-yl]-N-propyl-phenothiazine-2-carboxamide bromide

Systemtic Name: 10-[1-(1-phenacylpyrrolidin-1-ium-1-yl)propan-2-yl]-N-propyl-phenothiazine-2-carboxamide bromide Openeye Name: 10-[1-methyl-2-(1-phenacylpyrrolidin-1-ium-1-yl)ethyl]-N-propyl-phenothiazine-2-carboxamide bromide CAS Name: 10-[1-(1-phenacyl-1-pyrrolidin-1-iumyl)propan-2-yl]-N-propyl-2-phenothiazinecarboxamide bromide IUPAC Name: 10-[1-(1-phenacylpyrrolidin-1-ium-1-yl)propan-2-yl]-N-propylphenothiazine-2-carboxamide bromide Traditional Name: 10-[1-methyl-2-(1-phenacylpyrrolidin-1-ium-1-yl)ethyl]-N-propyl-phenothiazine-2-carboxamide bromide Formula: C31H36BrN3O2S MolecularWeight: 594.60544

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)C[N+]4(CCCC4)CC(=O)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)C[N+]4(CCCC4)CC(=O)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C31H35N3O2S.BrH/c1-3-17-32-31(36)25-15-16-30-27(20-25)33(26-13-7-8-14-29(26)37-30)23(2)21-34(18-9-10-19-34)22-28(35)24-11-5-4-6-12-24;/h4-8,11-16,20,23H,3,9-10,17-19,21-22H2,1-2H3;1H