[(3S)-1-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3S)-1-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O3/c1-24(12-9-16-5-2-3-10-22-16)18-6-4-11-25(14-18)21(26)23-17-7-8-19-20(13-17)28-15-27-19/h2-3,5,7-8,10,13,18H,4,6,9,11-12,14-15H2,1H3,(H,23,26)/p+1/t18-/m0/s1