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

Systemtic Name: N-[(2-methylphenyl)methyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(o-tolylmethyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(2-methylphenyl)methyl]-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(2-methylphenyl)methyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-methylbenzyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H31N3O2+2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-19-7-5-6-8-20(19)17-23-22(26)18-25-13-11-24(12-14-25)15-16-27-21-9-3-2-4-10-21/h2-10H,11-18H2,1H3,(H,23,26)/p+2