1-(3-nitrophenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(3-nitrophenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(3-nitrophenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(3-nitrophenyl)-3-(1-propyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(3-nitrophenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(3-nitrophenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea Formula: C15H23N4O2S+ MolecularWeight: 323.43372

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O2S/c1-2-8-18-9-6-12(7-10-18)16-15(22)17-13-4-3-5-14(11-13)19(20)21/h3-5,11-12H,2,6-10H2,1H3,(H2,16,17,22)/p+1