2-[4-(4-azanyl-3-methyl-phenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethyl-azanium

Systemtic Name: 2-[4-(4-azanyl-3-methyl-phenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethyl-azanium Openeye Name: 2-[4-(4-amino-3-methyl-phenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethyl-ammonium CAS Name: 2-[4-(4-amino-3-methylphenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethylammonium IUPAC Name: 2-[4-(4-amino-3-methylphenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethylazanium Traditional Name: 2-[4-(4-amino-3-methyl-phenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethyl-ammonium Formula: C18H33N4O+ MolecularWeight: 321.48082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33N4O/c1-16-15-17(5-6-18(16)19)21-8-4-7-20(9-10-21)11-12-22(2,3)13-14-23/h5-6,15,23H,4,7-14,19H2,1-3H3/q+1