[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxycarbonylphenyl)ethyl]azanium

Systemtic Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxycarbonylphenyl)ethyl]azanium Openeye Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxycarbonylphenyl)ethyl]ammonium CAS Name: [(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(4-methoxycarbonylphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxycarbonylphenyl)ethyl]azanium Traditional Name: [(2S)-2-(4-carbomethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-3-18-8-10-19(11-9-18)15(12-17)13-4-6-14(7-5-13)16(20)21-2/h4-7,15H,3,8-12,17H2,1-2H3/p+2/t15-/m1/s1