3-ethoxypropyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: 3-ethoxypropyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: 3-ethoxypropyl-[1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: 3-ethoxypropyl-[1-[4-[(1-oxo-5-phenylpentyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: 3-ethoxypropyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: 3-ethoxypropyl-[1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]ammonium Formula: C27H40N3O2+ MolecularWeight: 438.6254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O2/c1-2-32-22-8-19-28-24-17-20-30(21-18-24)26-15-13-25(14-16-26)29-27(31)12-7-6-11-23-9-4-3-5-10-23/h3-5,9-10,13-16,24,28H,2,6-8,11-12,17-22H2,1H3,(H,29,31)/p+1