[3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-oxidanyl-propyl]-trimethyl-azanium ethanoate

Systemtic Name: [3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-oxidanyl-propyl]-trimethyl-azanium ethanoate Openeye Name: [3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-hydroxy-propyl]-trimethyl-ammonium acetate CAS Name: [3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-hydroxypropyl]-trimethylammonium acetate IUPAC Name: [3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-hydroxypropyl]-trimethylazanium acetate Traditional Name: [3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-hydroxy-propyl]-trimethyl-ammonium acetate Formula: C19H34N4O3 MolecularWeight: 366.49826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C[N+](C)(C)CC(CN1CCCN(CC1)C2=CC=C(C=C2)N)O

Isomeric SMILES

CC(=O)[O-].C[N+](C)(C)CC(CN1CCCN(CC1)C2=CC=C(C=C2)N)O

InChI

InChI=1S/C17H31N4O.C2H4O2/c1-21(2,3)14-17(22)13-19-9-4-10-20(12-11-19)16-7-5-15(18)6-8-16;1-2(3)4/h5-8,17,22H,4,9-14,18H2,1-3H3;1H3,(H,3,4)/q+1;/p-1