[1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]-(phenylmethyl)azanium

Systemtic Name: [1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]ammonium CAS Name: [1-[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]-4-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-[4-[(2-phenoxyacetyl)amino]phenyl]piperidin-4-yl]azanium Traditional Name: benzyl-[1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]ammonium Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2/c30-26(20-31-25-9-5-2-6-10-25)28-23-11-13-24(14-12-23)29-17-15-22(16-18-29)27-19-21-7-3-1-4-8-21/h1-14,22,27H,15-20H2,(H,28,30)/p+1