(3S)-N-(1,3-benzodioxol-5-yl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(3-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(3-pyridinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=CC=C2)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=CC=C2)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N3O2/c1-3-14(10-19-7-1)11-21-8-2-4-16(12-21)20-15-5-6-17-18(9-15)23-13-22-17/h1,3,5-7,9-10,16,20H,2,4,8,11-13H2/p+1/t16-/m0/s1