1-phenyl-3-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]urea

Systemtic Name: 1-phenyl-3-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]urea Openeye Name: 1-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]-3-phenyl-urea CAS Name: 1-phenyl-3-[(2R)-4-(4-phenyl-1-piperazin-1-iumyl)butan-2-yl]urea IUPAC Name: 1-phenyl-3-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]urea Traditional Name: 1-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]-3-phenyl-urea Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H](CC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O/c1-18(22-21(26)23-19-8-4-2-5-9-19)12-13-24-14-16-25(17-15-24)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H2,22,23,26)/p+1/t18-/m1/s1