[(3S)-7-methoxy-3,7-dimethyl-octyl]-[2-(4-propan-2-ylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(3S)-7-methoxy-3,7-dimethyl-octyl]-[2-(4-propan-2-ylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: 2-(4-isopropylpiperazin-4-ium-1-yl)ethyl-[(3S)-7-methoxy-3,7-dimethyl-octyl]ammonium CAS Name: [(3S)-7-methoxy-3,7-dimethyloctyl]-[2-(4-propan-2-yl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(3S)-7-methoxy-3,7-dimethyloctyl]-[2-(4-propan-2-ylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: 2-(4-isopropylpiperazin-4-ium-1-yl)ethyl-[(3S)-7-methoxy-3,7-dimethyl-octyl]ammonium Formula: C20H45N3O+2 MolecularWeight: 343.5908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)CC[NH2+]CCC(C)CCCC(C)(C)OC

Isomeric SMILES

C[C@@H](CCCC(C)(C)OC)CC[NH2+]CCN1CC[NH+](CC1)C(C)C

InChI

InChI=1S/C20H43N3O/c1-18(2)23-16-14-22(15-17-23)13-12-21-11-9-19(3)8-7-10-20(4,5)24-6/h18-19,21H,7-17H2,1-6H3/p+2/t19-/m0/s1