N-(5-chloranyl-2-methoxy-phenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[4-(3-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=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

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