1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(2,4,4-trimethylpentan-2-yl)thiourea

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(2,4,4-trimethylpentan-2-yl)thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(1,1,3,3-tetramethylbutyl)thiourea CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-(2,4,4-trimethylpentan-2-yl)thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(2,4,4-trimethylpentan-2-yl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(1,1,3,3-tetramethylbutyl)thiourea Formula: C21H36N3S+ MolecularWeight: 362.59564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=S)NC1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=S)NC1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C21H35N3S/c1-20(2,3)16-21(4,5)23-19(25)22-18-11-13-24(14-12-18)15-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3,(H2,22,23,25)/p+1