[(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [(3S)-1-(1-benzylpiperidin-1-ium-4-yl)-3-piperidyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [(3S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [(3S)-1-(1-benzylpiperidin-1-ium-4-yl)-3-piperidyl]-(4-phenylpiperazino)methanone Formula: C28H39N4O+ MolecularWeight: 447.63546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H38N4O/c33-28(31-20-18-30(19-21-31)26-11-5-2-6-12-26)25-10-7-15-32(23-25)27-13-16-29(17-14-27)22-24-8-3-1-4-9-24/h1-6,8-9,11-12,25,27H,7,10,13-23H2/p+1/t25-/m0/s1