methyl 3-[2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C24H33N3O4+2 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4/c1-17-5-8-22(30-3)20(13-17)15-26-9-11-27(12-10-26)16-23(28)25-21-14-19(24(29)31-4)7-6-18(21)2/h5-8,13-14H,9-12,15-16H2,1-4H3,(H,25,28)/p+2