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

Systemtic Name: 2-(cyclohexen-1-yl)ethyl-[1-[4-(2-phenoxyethanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: 2-(cyclohexen-1-yl)ethyl-[1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]ammonium CAS Name: 2-(1-cyclohexenyl)ethyl-[1-[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-(cyclohexen-1-yl)ethyl-[1-[4-[(2-phenoxyacetyl)amino]phenyl]piperidin-4-yl]azanium Traditional Name: 2-(cyclohexen-1-yl)ethyl-[1-[4-[(2-phenoxyacetyl)amino]phenyl]-4-piperidyl]ammonium Formula: C27H36N3O2+ MolecularWeight: 434.59364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CC[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)CC[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O2/c31-27(21-32-26-9-5-2-6-10-26)29-24-11-13-25(14-12-24)30-19-16-23(17-20-30)28-18-15-22-7-3-1-4-8-22/h2,5-7,9-14,23,28H,1,3-4,8,15-21H2,(H,29,31)/p+1