[1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C24H37N3O4+2 MolecularWeight: 431.56828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC(CC3)[NH+]4CCC(CC4)C(=O)N5CCCC5

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC(CC3)[NH+]4CCC(CC4)C(=O)N5CCCC5

InChI

InChI=1S/C24H35N3O4/c1-29-21-14-18(15-22-23(21)31-17-30-22)16-25-10-6-20(7-11-25)26-12-4-19(5-13-26)24(28)27-8-2-3-9-27/h14-15,19-20H,2-13,16-17H2,1H3/p+2