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

Systemtic Name: (3S,4S)-1-[(2-methoxypyrimidin-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(2-methoxypyrimidin-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[(2-methoxy-5-pyrimidinyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(2-methoxypyrimidin-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-[(2-methoxypyrimidin-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C19H28N6O2+2 MolecularWeight: 372.46462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=N1)C[NH+]2CC(C(C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=NC=C(C=N1)C[NH+]2C[C@@H]([C@H](C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H26N6O2/c1-27-19-21-10-15(11-22-19)12-23-13-16(17(26)14-23)24-6-8-25(9-7-24)18-4-2-3-5-20-18/h2-5,10-11,16-17,26H,6-9,12-14H2,1H3/p+2/t16-,17-/m0/s1