[(2S)-2-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazine-1,4-diium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazine-1,4-diium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazine-1,4-diium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(3,4-dimethoxyphenyl)-2-(4-ethyl-1-piperazine-1,4-diiumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazine-1,4-diium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazine-1,4-diium-1-yl)ethyl]ammonium Formula: C16H30N3O2+3 MolecularWeight: 296.4283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O2/c1-4-18-7-9-19(10-8-18)14(12-17)13-5-6-15(20-2)16(11-13)21-3/h5-6,11,14H,4,7-10,12,17H2,1-3H3/p+3/t14-/m1/s1