1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methyl-2-thienyl)methyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methyl-2-thiophenyl)methyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-1-ium Traditional Name: 1-[(3-methyl-2-thienyl)methyl]-4-piperonyl-piperazin-4-ium Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC=C1)CN2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H22N2O2S/c1-14-4-9-23-18(14)12-20-7-5-19(6-8-20)11-15-2-3-16-17(10-15)22-13-21-16/h2-4,9-10H,5-8,11-13H2,1H3/p+1