[1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(2-methylsulfanylethyl)azanium

Systemtic Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(2-methylsulfanylethyl)azanium Openeye Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-piperidyl]-(2-methylsulfanylethyl)ammonium CAS Name: [1-[4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-4-piperidinyl]-[2-(methylthio)ethyl]ammonium IUPAC Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(2-methylsulfanylethyl)azanium Traditional Name: 2-(methylthio)ethyl-[1-[4-(piperonylcarbamoyl)phenyl]-4-piperidyl]ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CSCC[NH2+]C1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSCC[NH2+]C1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O3S/c1-30-13-10-24-19-8-11-26(12-9-19)20-5-3-18(4-6-20)23(27)25-15-17-2-7-21-22(14-17)29-16-28-21/h2-7,14,19,24H,8-13,15-16H2,1H3,(H,25,27)/p+1