methyl 4-[2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]acetyl]amino]butyric acid methyl ester Formula: C19H31N3O3+2 MolecularWeight: 349.46774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCCCC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCCCC(=O)OC

InChI

InChI=1S/C19H29N3O3/c1-16-5-3-6-17(13-16)14-21-9-11-22(12-10-21)15-18(23)20-8-4-7-19(24)25-2/h3,5-6,13H,4,7-12,14-15H2,1-2H3,(H,20,23)/p+2