(3S,4S)-1-(1-benzofuran-2-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-(1-benzofuran-2-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-(benzofuran-2-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-(2-benzofuranylmethyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-(1-benzofuran-2-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-(benzofuran-2-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C22H28N4O2+2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C[NH+](CC2O)CC3=CC4=CC=CC=C4O3)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1[C@H]2C[NH+](C[C@@H]2O)CC3=CC4=CC=CC=C4O3)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H26N4O2/c27-20-16-24(14-18-13-17-5-1-2-6-21(17)28-18)15-19(20)25-9-11-26(12-10-25)22-7-3-4-8-23-22/h1-8,13,19-20,27H,9-12,14-16H2/p+2/t19-,20-/m0/s1