[(1S)-1-(2,5-dimethylphenyl)-2-piperazin-4-ium-1-yl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-1-(2,5-dimethylphenyl)-2-piperazin-4-ium-1-yl-ethyl]-diethyl-azanium Openeye Name: [(1S)-1-(2,5-dimethylphenyl)-2-piperazin-4-ium-1-yl-ethyl]-diethyl-ammonium CAS Name: [(1S)-1-(2,5-dimethylphenyl)-2-(1-piperazin-4-iumyl)ethyl]-diethylammonium IUPAC Name: [(1S)-1-(2,5-dimethylphenyl)-2-piperazin-4-ium-1-ylethyl]-diethylazanium Traditional Name: [(1S)-1-(2,5-dimethylphenyl)-2-piperazin-4-ium-1-yl-ethyl]-diethyl-ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CN1CC[NH2+]CC1)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CC[NH+](CC)[C@H](CN1CC[NH2+]CC1)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C18H31N3/c1-5-21(6-2)18(14-20-11-9-19-10-12-20)17-13-15(3)7-8-16(17)4/h7-8,13,18-19H,5-6,9-12,14H2,1-4H3/p+2/t18-/m1/s1