1-(1,3-benzodioxol-5-ylmethyl)-3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]thiourea Traditional Name: 1-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-piperonyl-thiourea Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=S)NCC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=S)NCC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H24ClN3O2S/c22-17-4-1-15(2-5-17)13-25-9-7-18(8-10-25)24-21(28)23-12-16-3-6-19-20(11-16)27-14-26-19/h1-6,11,18H,7-10,12-14H2,(H2,23,24,28)/p+1