N-cyclopentyl-4-[4-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]piperidin-1-yl]benzamide

Systemtic Name: N-cyclopentyl-4-[4-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]piperidin-1-yl]benzamide Openeye Name: 4-[4-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-1-piperidyl]-N-cyclopentyl-benzamide CAS Name: N-cyclopentyl-4-[4-[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]-1-piperidinyl]benzamide IUPAC Name: 4-[4-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]piperidin-1-yl]-N-cyclopentylbenzamide Traditional Name: 4-[4-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]piperidino]-N-cyclopentyl-benzamide Formula: C28H39N4O+ MolecularWeight: 447.63546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NC4CC[NH+](C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)N[C@H]4CC[NH+](C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H38N4O/c33-28(30-24-8-4-5-9-24)23-10-12-27(13-11-23)32-18-15-25(16-19-32)29-26-14-17-31(21-26)20-22-6-2-1-3-7-22/h1-3,6-7,10-13,24-26,29H,4-5,8-9,14-21H2,(H,30,33)/p+1/t26-/m0/s1