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

Systemtic Name: [2-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [2-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [2-[4-(3-phenylpropyl)-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [2-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [2-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]benzyl]ammonium Formula: C20H29N3+2 MolecularWeight: 311.46436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C3=CC=CC=C3C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C3=CC=CC=C3C[NH3+]

InChI

InChI=1S/C20H27N3/c21-17-19-10-4-5-11-20(19)23-15-13-22(14-16-23)12-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11H,6,9,12-17,21H2/p+2