2-[4-(4-chloranyl-3-ethyl-phenoxy)butylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-(4-chloranyl-3-ethyl-phenoxy)butylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[4-(4-chloro-3-ethyl-phenoxy)butylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[4-(4-chloro-3-ethylphenoxy)butylammonio]ethyl-dimethylammonium IUPAC Name: 2-[4-(4-chloro-3-ethylphenoxy)butylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[4-(4-chloro-3-ethyl-phenoxy)butylammonio]ethyl-dimethyl-ammonium Formula: C16H29ClN2O+2 MolecularWeight: 300.86726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCCCC[NH2+]CC[NH+](C)C)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OCCCC[NH2+]CC[NH+](C)C)Cl

InChI

InChI=1S/C16H27ClN2O/c1-4-14-13-15(7-8-16(14)17)20-12-6-5-9-18-10-11-19(2)3/h7-8,13,18H,4-6,9-12H2,1-3H3/p+2