10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]-2-propyl-phenothiazine-1-carboxamide

Systemtic Name: 10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]-2-propyl-phenothiazine-1-carboxamide Openeye Name: 10-[1-methyl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-2-propyl-phenothiazine-1-carboxamide CAS Name: 10-[1-(1-methyl-1-pyrrolidin-1-iumyl)propan-2-yl]-2-propyl-1-phenothiazinecarboxamide IUPAC Name: 10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]-2-propylphenothiazine-1-carboxamide Traditional Name: 10-[1-methyl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-2-propyl-phenothiazine-1-carboxamide Formula: C24H32N3OS+ MolecularWeight: 410.59538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C1)SC3=CC=CC=C3N2C(C)C[N+]4(CCCC4)C)C(=O)N

Isomeric SMILES

CCCC1=C(C2=C(C=C1)SC3=CC=CC=C3N2C(C)C[N+]4(CCCC4)C)C(=O)N

InChI

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