[(2S)-2-(4-propan-2-yloxyphenyl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(4-propan-2-yloxyphenyl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(4-isopropoxyphenyl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(4-propan-2-yloxyphenyl)-2-(4-propyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-propan-2-yloxyphenyl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(4-isopropoxyphenyl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C18H33N3O+2 MolecularWeight: 307.47412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3O/c1-4-9-20-10-12-21(13-11-20)18(14-19)16-5-7-17(8-6-16)22-15(2)3/h5-8,15,18H,4,9-14,19H2,1-3H3/p+2/t18-/m1/s1