dicyclohexyl-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethyl]azanium

Systemtic Name: dicyclohexyl-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethyl]azanium Openeye Name: dicyclohexyl-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethyl]ammonium CAS Name: dicyclohexyl-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethyl]ammonium IUPAC Name: dicyclohexyl-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethyl]azanium Traditional Name: dicyclohexyl-[2-[4-[(3-nitrobenzyl)amino]phenyl]ethyl]ammonium Formula: C27H38N3O2+ MolecularWeight: 436.60952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CCC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])C4CCCCC4

Isomeric SMILES

C1CCC(CC1)[NH+](CCC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])C4CCCCC4

InChI

InChI=1S/C27H37N3O2/c31-30(32)27-13-7-8-23(20-27)21-28-24-16-14-22(15-17-24)18-19-29(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h7-8,13-17,20,25-26,28H,1-6,9-12,18-19,21H2/p+1