1,3-benzodioxol-5-yl-[(3S)-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[4-(1-pyrrolidin-1-iumylmethyl)-2-thiophenyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperidin-1-ium-3-yl]methanone Formula: C23H30N2O3S+2 MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CSC(=C2)C[NH+]3CCCC(C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC[NH+](C1)CC2=CSC(=C2)C[NH+]3CCC[C@@H](C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H28N2O3S/c26-23(18-5-6-21-22(11-18)28-16-27-21)19-4-3-9-25(13-19)14-20-10-17(15-29-20)12-24-7-1-2-8-24/h5-6,10-11,15,19H,1-4,7-9,12-14,16H2/p+2/t19-/m0/s1