(3S,4S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C22H30N4O4+2 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CC(C(C3)O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3C[C@@H]([C@H](C3)O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H28N4O4/c1-28-19-10-16(11-20-22(19)30-15-29-20)12-24-13-17(18(27)14-24)25-6-8-26(9-7-25)21-4-2-3-5-23-21/h2-5,10-11,17-18,27H,6-9,12-15H2,1H3/p+2/t17-,18-/m0/s1