[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]-(3-propan-2-yloxypropyl)azanium

Systemtic Name: [1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]-(3-propan-2-yloxypropyl)azanium Openeye Name: 3-isopropoxypropyl-[1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: [1-[4-[(1-oxo-5-phenylpentyl)amino]phenyl]-4-piperidinyl]-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]-(3-propan-2-yloxypropyl)azanium Traditional Name: 3-isopropoxypropyl-[1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]ammonium Formula: C28H42N3O2+ MolecularWeight: 452.65198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)OCCC[NH2+]C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCCCC3=CC=CC=C3

InChI

InChI=1S/C28H41N3O2/c1-23(2)33-22-8-19-29-25-17-20-31(21-18-25)27-15-13-26(14-16-27)30-28(32)12-7-6-11-24-9-4-3-5-10-24/h3-5,9-10,13-16,23,25,29H,6-8,11-12,17-22H2,1-2H3,(H,30,32)/p+1