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

Systemtic Name: 1-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]urea CAS Name: [(2S)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-2-methyl-1-(4-p-anisylpiperazin-4-ium-1-carbonyl)propyl]urea Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3/c1-13(2)16(20-18(19)24)17(23)22-10-8-21(9-11-22)12-14-4-6-15(25-3)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H3,19,20,24)/p+1/t16-/m0/s1