1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-tert-butyl-urea

Systemtic Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-tert-butyl-urea Openeye Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-tert-butyl-urea CAS Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-3-tert-butylurea IUPAC Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-tert-butylurea Traditional Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-tert-butyl-urea Formula: C19H32N4O3+2 MolecularWeight: 364.48238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NCC(C1=CC2=C(C=C1)OCO2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)NC(=O)NC[C@H](C1=CC2=C(C=C1)OCO2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C19H30N4O3/c1-19(2,3)21-18(24)20-12-15(23-9-7-22(4)8-10-23)14-5-6-16-17(11-14)26-13-25-16/h5-6,11,15H,7-10,12-13H2,1-4H3,(H2,20,21,24)/p+2/t15-/m1/s1