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

Systemtic Name: 2-[4-(4-azanyl-3-methyl-phenyl)-1-(2-hydroxyethyl)-1,4-diazepan-1-ium-1-yl]ethanol Openeye Name: 2-[4-(4-amino-3-methyl-phenyl)-1-(2-hydroxyethyl)-1,4-diazepan-1-ium-1-yl]ethanol CAS Name: 2-[4-(4-amino-3-methylphenyl)-1-(2-hydroxyethyl)-1,4-diazepan-1-ium-1-yl]ethanol IUPAC Name: 2-[4-(4-amino-3-methylphenyl)-1-(2-hydroxyethyl)-1,4-diazepan-1-ium-1-yl]ethanol Traditional Name: 2-[4-(4-amino-3-methyl-phenyl)-1-(2-hydroxyethyl)-1,4-diazepan-1-ium-1-yl]ethanol Formula: C16H28N3O2+ MolecularWeight: 294.41242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCC[N+](CC2)(CCO)CCO)N

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCC[N+](CC2)(CCO)CCO)N

InChI

InChI=1S/C16H28N3O2/c1-14-13-15(3-4-16(14)17)18-5-2-7-19(8-6-18,9-11-20)10-12-21/h3-4,13,20-21H,2,5-12,17H2,1H3/q+1