[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone

Systemtic Name: [(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone Openeye Name: [(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidyl]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone CAS Name: [(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidinyl]-[1-(1-pyrrolidin-1-iumyl)cyclopentyl]methanone IUPAC Name: [(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone Traditional Name: [(3S)-3-(1,3-benzodioxol-5-ylamino)piperidino]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)N2CCCC(C2)NC3=CC4=C(C=C3)OCO4)[NH+]5CCCC5

Isomeric SMILES

C1CCC(C1)(C(=O)N2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCO4)[NH+]5CCCC5

InChI

InChI=1S/C22H31N3O3/c26-21(22(9-1-2-10-22)25-12-3-4-13-25)24-11-5-6-18(15-24)23-17-7-8-19-20(14-17)28-16-27-19/h7-8,14,18,23H,1-6,9-13,15-16H2/p+1/t18-/m0/s1