N-(5-chloranyl-2-methoxy-phenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H28ClN3O2+2 MolecularWeight: 389.91892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H26ClN3O2/c1-16-5-3-4-6-17(16)14-24-9-11-25(12-10-24)15-21(26)23-19-13-18(22)7-8-20(19)27-2/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26)/p+2