[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methoxy-4-propan-2-yloxy-phenyl)ethyl]azanium

Systemtic Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methoxy-4-propan-2-yloxy-phenyl)ethyl]azanium Openeye Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-isopropoxy-3-methoxy-phenyl)ethyl]ammonium CAS Name: [(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]azanium Traditional Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-isopropoxy-3-methoxy-phenyl)ethyl]ammonium Formula: C18H33N3O2+2 MolecularWeight: 323.47352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3O2/c1-5-20-8-10-21(11-9-20)16(13-19)15-6-7-17(23-14(2)3)18(12-15)22-4/h6-7,12,14,16H,5,8-11,13,19H2,1-4H3/p+2/t16-/m1/s1