methyl 3-(butanoylamino)-4-(4-ethylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-(butanoylamino)-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-(butanoylamino)-4-(4-ethylpiperazin-4-ium-1-yl)benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-(1-oxobutylamino)benzoic acid methyl ester IUPAC Name: methyl 3-(butanoylamino)-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-butyramido-4-(4-ethylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CC[NH+](CC2)CC

Isomeric SMILES

CCCC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CC[NH+](CC2)CC

InChI

InChI=1S/C18H27N3O3/c1-4-6-17(22)19-15-13-14(18(23)24-3)7-8-16(15)21-11-9-20(5-2)10-12-21/h7-8,13H,4-6,9-12H2,1-3H3,(H,19,22)/p+1