1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-(1,3,5-trimethyl-4-pyrazolyl)thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea Formula: C19H28N5S+ MolecularWeight: 358.52412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H27N5S/c1-14-18(15(2)23(3)22-14)21-19(25)20-17-9-11-24(12-10-17)13-16-7-5-4-6-8-16/h4-8,17H,9-13H2,1-3H3,(H2,20,21,25)/p+1