1-[5-oxidanylidene-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pentyl]urea

Systemtic Name: 1-[5-oxidanylidene-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pentyl]urea Openeye Name: [5-oxo-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pentyl]urea CAS Name: [5-oxo-5-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]pentyl]urea IUPAC Name: [5-oxo-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pentyl]urea Traditional Name: [5-keto-5-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]pentyl]urea Formula: C20H33N4O5+ MolecularWeight: 409.49982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCCCNC(=O)N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCCCNC(=O)N)OC)OC

InChI

InChI=1S/C20H32N4O5/c1-27-16-8-7-15(18(28-2)19(16)29-3)14-23-10-12-24(13-11-23)17(25)6-4-5-9-22-20(21)26/h7-8H,4-6,9-14H2,1-3H3,(H3,21,22,26)/p+1