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

Systemtic Name: (3S,4S)-1-[(2-propylpyrimidin-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(2-propylpyrimidin-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[(2-propyl-5-pyrimidinyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(2-propylpyrimidin-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-[(2-propylpyrimidin-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C21H32N6O+2 MolecularWeight: 384.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C=N1)C[NH+]2CC(C(C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCCC1=NC=C(C=N1)C[NH+]2C[C@@H]([C@H](C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H30N6O/c1-2-5-20-23-12-17(13-24-20)14-25-15-18(19(28)16-25)26-8-10-27(11-9-26)21-6-3-4-7-22-21/h3-4,6-7,12-13,18-19,28H,2,5,8-11,14-16H2,1H3/p+2/t18-,19-/m0/s1