[(2S)-3-phenyl-2-(4-propylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: [(2S)-3-phenyl-2-(4-propylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [(2S)-3-phenyl-2-(4-propylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [(2S)-3-phenyl-2-(4-propyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(2S)-3-phenyl-2-(4-propylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [(2S)-3-phenyl-2-(4-propylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(CC2=CC=CC=C2)C[NH3+]

Isomeric SMILES

CCC[NH+]1CCN(CC1)[C@@H](CC2=CC=CC=C2)C[NH3+]

InChI

InChI=1S/C16H27N3/c1-2-8-18-9-11-19(12-10-18)16(14-17)13-15-6-4-3-5-7-15/h3-7,16H,2,8-14,17H2,1H3/p+2/t16-/m0/s1