dicyclohexyl-(4-phenoxyphenyl)-piperidin-4-yl-azanium

Systemtic Name: dicyclohexyl-(4-phenoxyphenyl)-piperidin-4-yl-azanium Openeye Name: dicyclohexyl-(4-phenoxyphenyl)-(4-piperidyl)ammonium CAS Name: dicyclohexyl-(4-phenoxyphenyl)-(4-piperidinyl)ammonium IUPAC Name: dicyclohexyl-(4-phenoxyphenyl)-piperidin-4-ylazanium Traditional Name: dicyclohexyl-(4-phenoxyphenyl)-(4-piperidyl)ammonium Formula: C29H41N2O+ MolecularWeight: 433.64864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+](C2CCCCC2)(C3CCNCC3)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)[N+](C2CCCCC2)(C3CCNCC3)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H41N2O/c1-4-10-24(11-5-1)31(25-12-6-2-7-13-25,27-20-22-30-23-21-27)26-16-18-29(19-17-26)32-28-14-8-3-9-15-28/h3,8-9,14-19,24-25,27,30H,1-2,4-7,10-13,20-23H2/q+1