1-azanyl-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-azanyl-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-amino-3-(1-benzylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-amino-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-amino-3-(1-benzylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-amino-3-(1-benzylpiperidin-1-ium-4-yl)thiourea Formula: C13H21N4S+ MolecularWeight: 265.39764

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=S)NN)CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1NC(=S)NN)CC2=CC=CC=C2

InChI

InChI=1S/C13H20N4S/c14-16-13(18)15-12-6-8-17(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2,(H2,15,16,18)/p+1