3-[(3-chloranyl-4-phenylmethoxy-phenyl)methylazaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[(3-chloranyl-4-phenylmethoxy-phenyl)methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[(4-benzyloxy-3-chloro-phenyl)methylammonio]propyl-diethyl-ammonium CAS Name: 3-[(3-chloro-4-phenylmethoxyphenyl)methylammonio]propyl-diethylammonium IUPAC Name: 3-[(3-chloro-4-phenylmethoxyphenyl)methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[(4-benzoxy-3-chloro-benzyl)ammonio]propyl-diethyl-ammonium Formula: C21H31ClN2O+2 MolecularWeight: 362.93664

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]CC1=CC(=C(C=C1)OCC2=CC=CC=C2)Cl

Isomeric SMILES

CC[NH+](CC)CCC[NH2+]CC1=CC(=C(C=C1)OCC2=CC=CC=C2)Cl

InChI

InChI=1S/C21H29ClN2O/c1-3-24(4-2)14-8-13-23-16-19-11-12-21(20(22)15-19)25-17-18-9-6-5-7-10-18/h5-7,9-12,15,23H,3-4,8,13-14,16-17H2,1-2H3/p+2