3-[(4-butoxyphenyl)methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-butoxyphenyl)methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[(4-butoxyphenyl)methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[(4-butoxyphenyl)methylammonio]propyl-dimethylammonium IUPAC Name: 3-[(4-butoxyphenyl)methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[(4-butoxybenzyl)ammonio]propyl-dimethyl-ammonium Formula: C16H30N2O+2 MolecularWeight: 266.4222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[NH2+]CCC[NH+](C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C16H28N2O/c1-4-5-13-19-16-9-7-15(8-10-16)14-17-11-6-12-18(2)3/h7-10,17H,4-6,11-14H2,1-3H3/p+2