2-(4-chloranyl-3-methyl-phenoxy)-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]acetamide CAS Name: 2-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]acetamide Formula: C20H28ClN3O2S+2 MolecularWeight: 409.97322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NCC(C2=CC=CS2)[NH+]3CC[NH+](CC3)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC[C@H](C2=CC=CS2)[NH+]3CC[NH+](CC3)C)Cl

InChI

InChI=1S/C20H26ClN3O2S/c1-15-12-16(5-6-17(15)21)26-14-20(25)22-13-18(19-4-3-11-27-19)24-9-7-23(2)8-10-24/h3-6,11-12,18H,7-10,13-14H2,1-2H3,(H,22,25)/p+2/t18-/m1/s1