1-(4-nitrophenyl)-3-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(1-isopropylpiperidin-1-ium-4-yl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(4-nitrophenyl)-3-(1-propan-2-yl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(4-nitrophenyl)-3-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(1-isopropylpiperidin-1-ium-4-yl)-3-(4-nitrophenyl)thiourea Formula: C15H23N4O2S+ MolecularWeight: 323.43372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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