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

Systemtic Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-tert-butyl-urea Openeye Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-tert-butyl-urea CAS Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-3-tert-butylurea IUPAC Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-tert-butylurea Traditional Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-tert-butyl-urea Formula: C24H33N4O3+ MolecularWeight: 425.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NCC(C1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)NC[C@H](C1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3/c1-24(2,3)26-23(29)25-16-20(18-9-10-21-22(15-18)31-17-30-21)28-13-11-27(12-14-28)19-7-5-4-6-8-19/h4-10,15,20H,11-14,16-17H2,1-3H3,(H2,25,26,29)/p+1/t20-/m1/s1