[(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]ethyl]azanium

Systemtic Name: [(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: [(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]ethyl]ammonium CAS Name: [(1S)-1-phenyl-2-[4-(3-phenylpropyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: [(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: [(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]ethyl]ammonium Formula: C21H31N3+2 MolecularWeight: 325.49094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C[C@H](C3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C21H29N3/c22-21(20-11-5-2-6-12-20)18-24-16-14-23(15-17-24)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,21H,7,10,13-18,22H2/p+2/t21-/m1/s1