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

Systemtic Name: 1-(3-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]urea Openeye Name: 1-(3-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]urea CAS Name: 1-(3-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]ethyl]urea IUPAC Name: 1-(3-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]ethyl]urea Traditional Name: 1-(3-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]urea Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)CCNC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)CCNC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H28N4O2/c1-24-13-14-25(20(16-24)17-7-4-3-5-8-17)12-11-22-21(26)23-18-9-6-10-19(15-18)27-2/h3-10,15,20H,11-14,16H2,1-2H3,(H2,22,23,26)/p+1/t20-/m1/s1