1-(3-aminophenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]urea

Systemtic Name: 1-(3-aminophenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]urea Openeye Name: 1-(3-aminophenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]urea CAS Name: 1-(3-aminophenyl)-3-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]urea IUPAC Name: 1-(3-aminophenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]urea Traditional Name: 1-(3-aminophenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]urea Formula: C16H27N4O+ MolecularWeight: 291.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)NC2=CC=CC(=C2)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)NC2=CC=CC(=C2)N

InChI

InChI=1S/C16H26N4O/c1-13-6-2-3-10-20(13)11-5-9-18-16(21)19-15-8-4-7-14(17)12-15/h4,7-8,12-13H,2-3,5-6,9-11,17H2,1H3,(H2,18,19,21)/p+1/t13-/m0/s1