methyl 4-[2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]acetyl]amino]butyric acid methyl ester Formula: C20H33N3O4+2 MolecularWeight: 379.49372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4/c1-16-6-7-18(26-2)17(13-16)14-22-9-11-23(12-10-22)15-19(24)21-8-4-5-20(25)27-3/h6-7,13H,4-5,8-12,14-15H2,1-3H3,(H,21,24)/p+2