(3S,4S)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(2,2-dimethyl-3H-benzofuran-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[(2,2-dimethyl-3H-benzofuran-5-yl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-[(2,2-dimethylcoumaran-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C24H34N4O2+2 MolecularWeight: 410.55236

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C=CC(=C2)C[NH+]3CC(C(C3)O)N4CCN(CC4)C5=CC=CC=[NH+]5)C

Isomeric SMILES

CC1(CC2=C(O1)C=CC(=C2)C[NH+]3C[C@@H]([C@H](C3)O)N4CCN(CC4)C5=CC=CC=[NH+]5)C

InChI

InChI=1S/C24H32N4O2/c1-24(2)14-19-13-18(6-7-22(19)30-24)15-26-16-20(21(29)17-26)27-9-11-28(12-10-27)23-5-3-4-8-25-23/h3-8,13,20-21,29H,9-12,14-17H2,1-2H3/p+2/t20-,21-/m0/s1