1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-phenyl-urea

Systemtic Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-phenyl-urea Openeye Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-phenyl-urea CAS Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-3-phenylurea IUPAC Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-phenylurea Traditional Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-phenyl-urea Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O3/c1-24-9-11-25(12-10-24)18(16-7-8-19-20(13-16)28-15-27-19)14-22-21(26)23-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H2,22,23,26)/p+1/t18-/m1/s1