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

Systemtic Name: (3S,4S)-1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(5-chloro-2-hydroxy-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[(5-chloro-2-hydroxyphenyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(5-chloro-2-hydroxyphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-(5-chloro-2-hydroxy-benzyl)-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C20H27ClN4O2+2 MolecularWeight: 390.90698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C[NH+](CC2O)CC3=C(C=CC(=C3)Cl)O)C4=CC=CC=[NH+]4

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O2/c21-16-4-5-18(26)15(11-16)12-23-13-17(19(27)14-23)24-7-9-25(10-8-24)20-3-1-2-6-22-20/h1-6,11,17,19,26-27H,7-10,12-14H2/p+2/t17-,19-/m0/s1