(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]amine Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H24N4O2/c1-21-11-14(10-19-21)12-22-6-2-3-16(13-22)20-15-4-5-17-18(9-15)24-8-7-23-17/h4-5,9-11,16,20H,2-3,6-8,12-13H2,1H3/p+1/t16-/m0/s1