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

Systemtic Name: [(2S)-1-phenyl-3-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]ethyl]ammonium CAS Name: [(2S)-1-phenyl-3-[4-(3-phenylpropyl)-1-piperazin-4-iumyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-phenyl-3-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]ethyl]ammonium Formula: C22H33N3+2 MolecularWeight: 339.51752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2)CC(CC3=CC=CC=C3)[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C[C@H](CC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C22H31N3/c23-22(18-21-10-5-2-6-11-21)19-25-16-14-24(15-17-25)13-7-12-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19,23H2/p+2/t22-/m0/s1