[3-[4-[(4-butan-2-ylphenyl)methyl]piperazin-1-yl]-2-oxidanyl-propyl]-trimethyl-azanium

Systemtic Name: [3-[4-[(4-butan-2-ylphenyl)methyl]piperazin-1-yl]-2-oxidanyl-propyl]-trimethyl-azanium Openeye Name: [2-hydroxy-3-[4-[(4-sec-butylphenyl)methyl]piperazin-1-yl]propyl]-trimethyl-ammonium CAS Name: [3-[4-[(4-butan-2-ylphenyl)methyl]-1-piperazinyl]-2-hydroxypropyl]-trimethylammonium IUPAC Name: [3-[4-[(4-butan-2-ylphenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-trimethylazanium Traditional Name: [2-hydroxy-3-[4-(4-sec-butylbenzyl)piperazino]propyl]-trimethyl-ammonium Formula: C21H38N3O+ MolecularWeight: 348.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)CN2CCN(CC2)CC(C[N+](C)(C)C)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)CN2CCN(CC2)CC(C[N+](C)(C)C)O

InChI

InChI=1S/C21H38N3O/c1-6-18(2)20-9-7-19(8-10-20)15-22-11-13-23(14-12-22)16-21(25)17-24(3,4)5/h7-10,18,21,25H,6,11-17H2,1-5H3/q+1