1-(3-bromophenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea

Systemtic Name: 1-(3-bromophenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea Openeye Name: 1-(3-bromophenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea CAS Name: 1-(3-bromophenyl)-3-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]thiourea IUPAC Name: 1-(3-bromophenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea Traditional Name: 1-(3-bromophenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea Formula: C16H25BrN3S+ MolecularWeight: 371.3588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H24BrN3S/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,2-3,5-6,9-11H2,1H3,(H2,18,19,21)/p+1/t13-/m0/s1