1-[[4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]-3-propan-2-yl-urea

Systemtic Name: 1-[[4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-[[4-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]urea CAS Name: 1-[[4-[[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]methyl]-3-propan-2-ylurea IUPAC Name: 1-[[4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-[4-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbonyl]benzyl]urea Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)NC(C)C

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)NC(C)C

InChI

InChI=1S/C21H29N5O3/c1-15(2)23-21(28)22-13-17-4-6-18(7-5-17)20(27)26-10-8-25(9-11-26)14-19-12-16(3)29-24-19/h4-7,12,15H,8-11,13-14H2,1-3H3,(H2,22,23,28)/p+1