N-(3-methylbutyl)-10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]phenothiazine-2-carboxamide iodide

Systemtic Name: N-(3-methylbutyl)-10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]phenothiazine-2-carboxamide iodide Openeye Name: N-isopentyl-10-[1-methyl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]phenothiazine-2-carboxamide iodide CAS Name: N-(3-methylbutyl)-10-[1-(1-methyl-1-pyrrolidin-1-iumyl)propan-2-yl]-2-phenothiazinecarboxamide iodide IUPAC Name: N-(3-methylbutyl)-10-[1-(1-methylpyrrolidin-1-ium-1-yl)propan-2-yl]phenothiazine-2-carboxamide iodide Traditional Name: N-isoamyl-10-[1-methyl-2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]phenothiazine-2-carboxamide iodide Formula: C26H36IN3OS MolecularWeight: 565.55301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3OS.HI/c1-19(2)13-14-27-26(30)21-11-12-25-23(17-21)28(22-9-5-6-10-24(22)31-25)20(3)18-29(4)15-7-8-16-29;/h5-6,9-12,17,19-20H,7-8,13-16,18H2,1-4H3;1H