7-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]heptylazanium

Systemtic Name: 7-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]heptylazanium Openeye Name: 7-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]heptylammonium CAS Name: 7-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]heptylammonium IUPAC Name: 7-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]heptylazanium Traditional Name: 7-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]heptylammonium Formula: C18H34N3+3 MolecularWeight: 292.48266

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](C(C1)C2=CC=CC=C2)CCCCCCC[NH3+]

Isomeric SMILES

C[NH+]1CC[NH+]([C@H](C1)C2=CC=CC=C2)CCCCCCC[NH3+]

InChI

InChI=1S/C18H31N3/c1-20-14-15-21(13-9-4-2-3-8-12-19)18(16-20)17-10-6-5-7-11-17/h5-7,10-11,18H,2-4,8-9,12-16,19H2,1H3/p+3/t18-/m1/s1