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

Systemtic Name: 1-tert-butyl-3-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Openeye Name: 1-tert-butyl-3-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea CAS Name: 1-tert-butyl-3-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]urea IUPAC Name: 1-tert-butyl-3-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Traditional Name: 1-tert-butyl-3-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Formula: C25H38N5O+ MolecularWeight: 424.60212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NCC(C1=CC=C(C=C1)N(C)C)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)NC[C@H](C1=CC=C(C=C1)N(C)C)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C25H37N5O/c1-25(2,3)27-24(31)26-19-23(20-11-13-21(14-12-20)28(4)5)30-17-15-29(16-18-30)22-9-7-6-8-10-22/h6-14,23H,15-19H2,1-5H3,(H2,26,27,31)/p+1/t23-/m1/s1