2-methyl-N-[(2-methylphenyl)methyl]-3-(1-methylpyrrolidin-1-ium-1-yl)-3-phenothiazin-10-yl-propanamide iodide

Systemtic Name: 2-methyl-N-[(2-methylphenyl)methyl]-3-(1-methylpyrrolidin-1-ium-1-yl)-3-phenothiazin-10-yl-propanamide iodide Openeye Name: 2-methyl-3-(1-methylpyrrolidin-1-ium-1-yl)-N-(o-tolylmethyl)-3-phenothiazin-10-yl-propanamide iodide CAS Name: 2-methyl-N-[(2-methylphenyl)methyl]-3-(1-methyl-1-pyrrolidin-1-iumyl)-3-(10-phenothiazinyl)propanamide iodide IUPAC Name: 2-methyl-N-[(2-methylphenyl)methyl]-3-(1-methylpyrrolidin-1-ium-1-yl)-3-phenothiazin-10-ylpropanamide iodide Traditional Name: 2-methyl-N-(2-methylbenzyl)-3-(1-methylpyrrolidin-1-ium-1-yl)-3-phenothiazin-10-yl-propionamide iodide Formula: C29H34IN3OS MolecularWeight: 599.56923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C(C)C(N2C3=CC=CC=C3SC4=CC=CC=C42)[N+]5(CCCC5)C.[I-]

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C(C)C(N2C3=CC=CC=C3SC4=CC=CC=C42)[N+]5(CCCC5)C.[I-]

InChI

InChI=1S/C29H33N3OS.HI/c1-21-12-4-5-13-23(21)20-30-28(33)22(2)29(32(3)18-10-11-19-32)31-24-14-6-8-16-26(24)34-27-17-9-7-15-25(27)31;/h4-9,12-17,22,29H,10-11,18-20H2,1-3H3;1H