(3S)-N-(1,3-benzodioxol-5-yl)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(3-isoxazolylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]amine Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3/c1-2-13(9-19(6-1)10-14-5-7-22-18-14)17-12-3-4-15-16(8-12)21-11-20-15/h3-5,7-8,13,17H,1-2,6,9-11H2/p+1/t13-/m0/s1