1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea Traditional Name: 1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-piperonyl-thiourea Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H27N3O2S/c1-14-5-2-3-9-21(14)10-4-8-19-18(24)20-12-15-6-7-16-17(11-15)23-13-22-16/h6-7,11,14H,2-5,8-10,12-13H2,1H3,(H2,19,20,24)/p+1/t14-/m0/s1