[2-[4-(3-phenoxypropyl)piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [2-[4-(3-phenoxypropyl)piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [2-[4-(3-phenoxypropyl)piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [2-[4-(3-phenoxypropyl)-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [2-[4-(3-phenoxypropyl)piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [2-[4-(3-phenoxypropyl)piperazin-4-ium-1-yl]benzyl]ammonium Formula: C20H29N3O+2 MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=CC=C2)C3=CC=CC=C3C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC=C2)C3=CC=CC=C3C[NH3+]

InChI

InChI=1S/C20H27N3O/c21-17-18-7-4-5-10-20(18)23-14-12-22(13-15-23)11-6-16-24-19-8-2-1-3-9-19/h1-5,7-10H,6,11-17,21H2/p+2