[(2S)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]azanium

Systemtic Name: [(2S)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]azanium Openeye Name: [(1S)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]ammonium CAS Name: [(2S)-4-(4-phenyl-1-piperazin-1-iumyl)butan-2-yl]ammonium IUPAC Name: [(2S)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]azanium Traditional Name: [(1S)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]ammonium Formula: C14H25N3+2 MolecularWeight: 235.3684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3/c1-13(15)7-8-16-9-11-17(12-10-16)14-5-3-2-4-6-14/h2-6,13H,7-12,15H2,1H3/p+2/t13-/m0/s1