[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-4-phenyl-butyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(CCC2=CC=CC=C2)C[NH3+]

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@@H](CCC2=CC=CC=C2)C[NH3+]

InChI

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