(3S,4S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C25H38N5O+3 MolecularWeight: 424.60212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CC(C(C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1[NH+]2C[C@@H]([C@H](C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4)CC5=CC=CC=C5

InChI

InChI=1S/C25H35N5O/c31-24-20-30(22-9-12-27(13-10-22)18-21-6-2-1-3-7-21)19-23(24)28-14-16-29(17-15-28)25-8-4-5-11-26-25/h1-8,11,22-24,31H,9-10,12-20H2/p+3/t23-,24-/m0/s1