(3-ethoxy-3-oxidanylidene-propyl)-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: (3-ethoxy-3-oxidanylidene-propyl)-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: (3-ethoxy-3-oxo-propyl)-[1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: (3-ethoxy-3-oxopropyl)-[1-[4-[(1-oxo-5-phenylpentyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: (3-ethoxy-3-oxopropyl)-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: (3-ethoxy-3-keto-propyl)-[1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]ammonium Formula: C27H38N3O3+ MolecularWeight: 452.60892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O3/c1-2-33-27(32)16-19-28-23-17-20-30(21-18-23)25-14-12-24(13-15-25)29-26(31)11-7-6-10-22-8-4-3-5-9-22/h3-5,8-9,12-15,23,28H,2,6-7,10-11,16-21H2,1H3,(H,29,31)/p+1