(3S)-N-(1,3-benzodioxol-5-yl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(2-pyrrolidin-1-ylthiazol-5-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[[2-(1-pyrrolidinyl)-5-thiazolyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(2-pyrrolidinothiazol-5-yl)methyl]piperidin-1-ium-3-yl]amine Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(S2)C[NH+]3CCCC(C3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)C2=NC=C(S2)C[NH+]3CCC[C@@H](C3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H26N4O2S/c1-2-9-24(8-1)20-21-11-17(27-20)13-23-7-3-4-16(12-23)22-15-5-6-18-19(10-15)26-14-25-18/h5-6,10-11,16,22H,1-4,7-9,12-14H2/p+1/t16-/m0/s1