[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [4-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]benzyl]ammonium Formula: C19H27N3O+2 MolecularWeight: 313.43718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=CC=C(C=C3)C[NH3+]

InChI

InChI=1S/C19H25N3O/c20-16-17-6-8-18(9-7-17)22-12-10-21(11-13-22)14-15-23-19-4-2-1-3-5-19/h1-9H,10-16,20H2/p+2