3-[4-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-4-ium-1-yl]propylazanium

Systemtic Name: 3-[4-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-4-ium-1-yl]propylazanium Openeye Name: 3-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-4-ium-1-yl]propylammonium CAS Name: 3-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1-piperazin-4-iumyl]propylammonium IUPAC Name: 3-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-4-ium-1-yl]propylazanium Traditional Name: 3-[4-[2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-4-ium-1-yl]propylammonium Formula: C17H30N4O+2 MolecularWeight: 306.4463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)CCC[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)CCC[NH3+]

InChI

InChI=1S/C17H28N4O/c1-15(16-6-3-2-4-7-16)19-17(22)14-21-12-10-20(11-13-21)9-5-8-18/h2-4,6-7,15H,5,8-14,18H2,1H3,(H,19,22)/p+2/t15-/m0/s1