2-[4-(4-azanyl-3-methyl-phenyl)-1-ethyl-1,4-diazepan-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(4-azanyl-3-methyl-phenyl)-1-ethyl-1,4-diazepan-1-ium-1-yl]ethanol Openeye Name: 2-[4-(4-amino-3-methyl-phenyl)-1-ethyl-1,4-diazepan-1-ium-1-yl]ethanol CAS Name: 2-[4-(4-amino-3-methylphenyl)-1-ethyl-1,4-diazepan-1-ium-1-yl]ethanol IUPAC Name: 2-[4-(4-amino-3-methylphenyl)-1-ethyl-1,4-diazepan-1-ium-1-yl]ethanol Traditional Name: 2-[4-(4-amino-3-methyl-phenyl)-1-ethyl-1,4-diazepan-1-ium-1-yl]ethanol Formula: C16H28N3O+ MolecularWeight: 278.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCN(CC1)C2=CC(=C(C=C2)N)C)CCO

Isomeric SMILES

CC[N+]1(CCCN(CC1)C2=CC(=C(C=C2)N)C)CCO

InChI

InChI=1S/C16H28N3O/c1-3-19(11-12-20)9-4-7-18(8-10-19)15-5-6-16(17)14(2)13-15/h5-6,13,20H,3-4,7-12,17H2,1-2H3/q+1