azane; [2-(1-azanylethyl)-5-butyl-3,4-dimethyl-6-propyl-phenyl]-ethyl-dimethyl-azanium

Systemtic Name: azane; [2-(1-azanylethyl)-5-butyl-3,4-dimethyl-6-propyl-phenyl]-ethyl-dimethyl-azanium Openeye Name: [2-(1-aminoethyl)-5-butyl-3,4-dimethyl-6-propyl-phenyl]-ethyl-dimethyl-ammonium; ammonia CAS Name: [2-(1-aminoethyl)-5-butyl-3,4-dimethyl-6-propylphenyl]-ethyl-dimethylammonium; ammonia IUPAC Name: [2-(1-aminoethyl)-5-butyl-3,4-dimethyl-6-propylphenyl]-ethyl-dimethylazanium; azane Traditional Name: [2-(1-aminoethyl)-5-butyl-3,4-dimethyl-6-propyl-phenyl]-ethyl-dimethyl-ammonium; ammonia Formula: C21H42N3+ MolecularWeight: 336.57828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1C)C)C(C)N)[N+](C)(C)CC)CCC.N

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1C)C)C(C)N)[N+](C)(C)CC)CCC.N

InChI

InChI=1S/C21H39N2.H3N/c1-9-12-14-18-15(4)16(5)20(17(6)22)21(19(18)13-10-2)23(7,8)11-3;/h17H,9-14,22H2,1-8H3;1H3/q+1;