10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]-N-propyl-phenothiazine-2-carboxamide; methyl sulfate

Systemtic Name: 10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]-N-propyl-phenothiazine-2-carboxamide; methyl sulfate Openeye Name: 10-[1-methyl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-N-propyl-phenothiazine-2-carboxamide; methyl sulfate CAS Name: 10-[1-(1-methyl-1-pyrrolidin-1-iumyl)propan-2-yl]-N-propyl-2-phenothiazinecarboxamide; methyl sulfate IUPAC Name: 10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]-N-propylphenothiazine-2-carboxamide; methyl sulfate Traditional Name: 10-[1-methyl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-N-propyl-phenothiazine-2-carboxamide; methyl sulfate Formula: C25H35N3O5S2 MolecularWeight: 521.6925

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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)C.COS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3OS.CH4O4S/c1-4-13-25-24(28)19-11-12-23-21(16-19)26(20-9-5-6-10-22(20)29-23)18(2)17-27(3)14-7-8-15-27;1-5-6(2,3)4/h5-6,9-12,16,18H,4,7-8,13-15,17H2,1-3H3;1H3,(H,2,3,4)