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

Systemtic Name: (3S,4S)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(5-cyclopentyl-2-thienyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[(5-cyclopentyl-2-thiophenyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-[(5-cyclopentyl-2-thienyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C23H34N4OS+2 MolecularWeight: 414.60726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=CC=C(S2)C[NH+]3CC(C(C3)O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CCC(C1)C2=CC=C(S2)C[NH+]3C[C@@H]([C@H](C3)O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H32N4OS/c28-21-17-25(15-19-8-9-22(29-19)18-5-1-2-6-18)16-20(21)26-11-13-27(14-12-26)23-7-3-4-10-24-23/h3-4,7-10,18,20-21,28H,1-2,5-6,11-17H2/p+2/t20-,21-/m0/s1