(3-chloranyl-4-methoxy-phenyl)methyl-bis(2-chloroethyl)azanium

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)methyl-bis(2-chloroethyl)azanium Openeye Name: bis(2-chloroethyl)-[(3-chloro-4-methoxy-phenyl)methyl]ammonium CAS Name: bis(2-chloroethyl)-[(3-chloro-4-methoxyphenyl)methyl]ammonium IUPAC Name: bis(2-chloroethyl)-[(3-chloro-4-methoxyphenyl)methyl]azanium Traditional Name: bis(2-chloroethyl)-(3-chloro-4-methoxy-benzyl)ammonium Formula: C12H17Cl3NO+ MolecularWeight: 297.62848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+](CCCl)CCCl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+](CCCl)CCCl)Cl

InChI

InChI=1S/C12H16Cl3NO/c1-17-12-3-2-10(8-11(12)15)9-16(6-4-13)7-5-14/h2-3,8H,4-7,9H2,1H3/p+1