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

Systemtic Name: (3S,4S)-1-[(3-pyrazol-1-ylphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(3-pyrazol-1-ylphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[[3-(1-pyrazolyl)phenyl]methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(3-pyrazol-1-ylphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-(3-pyrazol-1-ylbenzyl)-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C23H30N6O+2 MolecularWeight: 406.5239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C[NH+](CC2O)CC3=CC(=CC=C3)N4C=CC=N4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1[C@H]2C[NH+](C[C@@H]2O)CC3=CC(=CC=C3)N4C=CC=N4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H28N6O/c30-22-18-26(16-19-5-3-6-20(15-19)29-10-4-9-25-29)17-21(22)27-11-13-28(14-12-27)23-7-1-2-8-24-23/h1-10,15,21-22,30H,11-14,16-18H2/p+2/t21-,22-/m0/s1