1-[(2S)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]urea

Systemtic Name: 1-[(2S)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]urea CAS Name: [(2S)-1-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-1-[4-(3-chlorobenzyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]urea Formula: C17H26ClN4O2+ MolecularWeight: 353.86694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)Cl)NC(=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)Cl)NC(=O)N

InChI

InChI=1S/C17H25ClN4O2/c1-12(2)15(20-17(19)24)16(23)22-8-6-21(7-9-22)11-13-4-3-5-14(18)10-13/h3-5,10,12,15H,6-9,11H2,1-2H3,(H3,19,20,24)/p+1/t15-/m0/s1