1-[2-oxidanylidene-3-(phenylmethyl)-3-propan-2-yl-1,3-benzoxazol-3-ium-5-yl]urea

Systemtic Name: 1-[2-oxidanylidene-3-(phenylmethyl)-3-propan-2-yl-1,3-benzoxazol-3-ium-5-yl]urea Openeye Name: (3-benzyl-3-isopropyl-2-oxo-1,3-benzoxazol-3-ium-5-yl)urea CAS Name: [2-oxo-3-(phenylmethyl)-3-propan-2-yl-1,3-benzoxazol-3-ium-5-yl]urea IUPAC Name: (3-benzyl-2-oxo-3-propan-2-yl-1,3-benzoxazol-3-ium-5-yl)urea Traditional Name: (3-benzyl-3-isopropyl-2-keto-1,3-benzoxazol-3-ium-5-yl)urea Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(C2=C(C=CC(=C2)NC(=O)N)OC1=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[N+]1(C2=C(C=CC(=C2)NC(=O)N)OC1=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3/c1-12(2)21(11-13-6-4-3-5-7-13)15-10-14(20-17(19)22)8-9-16(15)24-18(21)23/h3-10,12H,11H2,1-2H3,(H2-,19,20,22)/p+1