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

Systemtic Name: [1-acetyloxy-3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-oxidanyl-propyl]-trimethyl-azanium Openeye Name: [1-acetoxy-3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-hydroxy-propyl]-trimethyl-ammonium CAS Name: [1-acetyloxy-3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-hydroxypropyl]-trimethylammonium IUPAC Name: [1-acetyloxy-3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-hydroxypropyl]-trimethylazanium Traditional Name: [1-acetoxy-3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-hydroxy-propyl]-trimethyl-ammonium Formula: C19H33N4O3+ MolecularWeight: 365.49032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H33N4O3/c1-15(24)26-19(23(2,3)4)18(25)14-21-10-5-11-22(13-12-21)17-8-6-16(20)7-9-17/h6-9,18-19,25H,5,10-14,20H2,1-4H3/q+1