[3-[4-(4-azanyl-3-methyl-phenyl)-1,4-diazepan-1-yl]-2-oxidanyl-propyl]-trimethyl-azanium

Systemtic Name: [3-[4-(4-azanyl-3-methyl-phenyl)-1,4-diazepan-1-yl]-2-oxidanyl-propyl]-trimethyl-azanium Openeye Name: [3-[4-(4-amino-3-methyl-phenyl)-1,4-diazepan-1-yl]-2-hydroxy-propyl]-trimethyl-ammonium CAS Name: [3-[4-(4-amino-3-methylphenyl)-1,4-diazepan-1-yl]-2-hydroxypropyl]-trimethylammonium IUPAC Name: [3-[4-(4-amino-3-methylphenyl)-1,4-diazepan-1-yl]-2-hydroxypropyl]-trimethylazanium Traditional Name: [3-[4-(4-amino-3-methyl-phenyl)-1,4-diazepan-1-yl]-2-hydroxy-propyl]-trimethyl-ammonium Formula: C18H33N4O+ MolecularWeight: 321.48082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCN(CC2)CC(C[N+](C)(C)C)O)N

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCN(CC2)CC(C[N+](C)(C)C)O)N

InChI

InChI=1S/C18H33N4O/c1-15-12-16(6-7-18(15)19)21-9-5-8-20(10-11-21)13-17(23)14-22(2,3)4/h6-7,12,17,23H,5,8-11,13-14,19H2,1-4H3/q+1