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

Systemtic Name: (3S,4S)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(thiophen-3-ylmethyl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(3-thienylmethyl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-(3-thiophenylmethyl)-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(thiophen-3-ylmethyl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-4-(4-pyridin-1-ium-2-ylpiperazino)-1-(3-thenyl)pyrrolidin-1-ium-3-ol Formula: C18H26N4OS+2 MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C[NH+](CC2O)CC3=CSC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1[C@H]2C[NH+](C[C@@H]2O)CC3=CSC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H24N4OS/c23-17-13-20(11-15-4-10-24-14-15)12-16(17)21-6-8-22(9-7-21)18-3-1-2-5-19-18/h1-5,10,14,16-17,23H,6-9,11-13H2/p+2/t16-,17-/m0/s1