(3S)-N-(1,3-benzodioxol-5-yl)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]amine Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCCC(C2)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C19H26N4O2/c1-3-23-14(2)15(10-20-23)11-22-8-4-5-17(12-22)21-16-6-7-18-19(9-16)25-13-24-18/h6-7,9-10,17,21H,3-5,8,11-13H2,1-2H3/p+1/t17-/m0/s1