10-[1-(1-phenethylpyrrolidin-1-ium-1-yl)propan-2-yl]-N-propyl-phenothiazine-2-carboxamide iodide

Systemtic Name: 10-[1-(1-phenethylpyrrolidin-1-ium-1-yl)propan-2-yl]-N-propyl-phenothiazine-2-carboxamide iodide Openeye Name: 10-[1-methyl-2-(1-phenethylpyrrolidin-1-ium-1-yl)ethyl]-N-propyl-phenothiazine-2-carboxamide iodide CAS Name: 10-[1-(1-phenethyl-1-pyrrolidin-1-iumyl)propan-2-yl]-N-propyl-2-phenothiazinecarboxamide iodide IUPAC Name: 10-[1-(1-phenethylpyrrolidin-1-ium-1-yl)propan-2-yl]-N-propylphenothiazine-2-carboxamide iodide Traditional Name: 10-[1-methyl-2-(1-phenethylpyrrolidin-1-ium-1-yl)ethyl]-N-propyl-phenothiazine-2-carboxamide iodide Formula: C31H38IN3OS MolecularWeight: 627.62239

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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)CCC5=CC=CC=C5.[I-]

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)C[N+]4(CCCC4)CCC5=CC=CC=C5.[I-]

InChI

InChI=1S/C31H37N3OS.HI/c1-3-18-32-31(35)26-15-16-30-28(22-26)33(27-13-7-8-14-29(27)36-30)24(2)23-34(19-9-10-20-34)21-17-25-11-5-4-6-12-25;/h4-8,11-16,22,24H,3,9-10,17-21,23H2,1-2H3;1H