2-(3-azanyl-4-methyl-phenyl)ethyl-bis(2-methylpropyl)azanium; cyclohexane; ethanamide; chloride

Systemtic Name: 2-(3-azanyl-4-methyl-phenyl)ethyl-bis(2-methylpropyl)azanium; cyclohexane; ethanamide; chloride Openeye Name: acetamide; 2-(3-amino-4-methyl-phenyl)ethyl-diisobutyl-ammonium; cyclohexane; chloride CAS Name: acetamide; 2-(3-amino-4-methylphenyl)ethyl-bis(2-methylpropyl)ammonium; cyclohexane; chloride IUPAC Name: acetamide; 2-(3-amino-4-methylphenyl)ethyl-bis(2-methylpropyl)azanium; cyclohexane; chloride Traditional Name: acetamide; 2-(3-amino-4-methyl-phenyl)ethyl-diisobutyl-ammonium; cyclohexane; chloride Formula: C25H48ClN3O MolecularWeight: 442.12112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC[NH+](CC(C)C)CC(C)C)N.CC(=O)N.C1CCCCC1.[Cl-]

Isomeric SMILES

CC1=C(C=C(C=C1)CC[NH+](CC(C)C)CC(C)C)N.CC(=O)N.C1CCCCC1.[Cl-]

InChI

InChI=1S/C17H30N2.C6H12.C2H5NO.ClH/c1-13(2)11-19(12-14(3)4)9-8-16-7-6-15(5)17(18)10-16;1-2-4-6-5-3-1;1-2(3)4;/h6-7,10,13-14H,8-9,11-12,18H2,1-5H3;1-6H2;1H3,(H2,3,4);1H