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

Systemtic Name: 1-[(2S,3S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]urea Openeye Name: [(1S,2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-butyl]urea CAS Name: [(2S,3S)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-oxopentan-2-yl]urea IUPAC Name: [(2S,3S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxopentan-2-yl]urea Traditional Name: [(1S,2S)-2-methyl-1-(4-p-anisylpiperazin-4-ium-1-carbonyl)butyl]urea Formula: C19H31N4O3+ MolecularWeight: 363.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O3/c1-4-14(2)17(21-19(20)25)18(24)23-11-9-22(10-12-23)13-15-5-7-16(26-3)8-6-15/h5-8,14,17H,4,9-13H2,1-3H3,(H3,20,21,25)/p+1/t14-,17-/m0/s1