1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(4-nitrophenyl)thiourea Formula: C16H25N4O2S+ MolecularWeight: 337.4603

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O2S/c1-13-7-11-19(12-8-13)10-2-9-17-16(23)18-14-3-5-15(6-4-14)20(21)22/h3-6,13H,2,7-12H2,1H3,(H2,17,18,23)/p+1