1,3-benzodioxol-5-ylmethyl-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-oxo-propyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]-methylazanium Traditional Name: [3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-keto-propyl]-methyl-piperonyl-ammonium Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+](CCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O3S/c1-24(12-14-6-7-17-18(10-14)27-13-26-17)9-8-20(25)23-21-16(11-22)15-4-2-3-5-19(15)28-21/h6-7,10H,2-5,8-9,12-13H2,1H3,(H,23,25)/p+1