N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(3-methoxyphenyl)-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(3-methoxyphenyl)-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H29N3O2+2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-17-6-3-4-7-18(17)15-23-10-12-24(13-11-23)16-21(25)22-19-8-5-9-20(14-19)26-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)/p+2