(3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperidin-1-ium-3-yl]amine Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCCC(C3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCC[C@@H](C3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H23N3O3S/c1-14-17(23-21(27-14)20-5-3-9-28-20)12-24-8-2-4-16(11-24)22-15-6-7-18-19(10-15)26-13-25-18/h3,5-7,9-10,16,22H,2,4,8,11-13H2,1H3/p+1/t16-/m0/s1