3-[4-(4-azanyl-3-methyl-phenyl)-1,4-diazepan-1-yl]propyl-trimethyl-azanium chloride

Systemtic Name: 3-[4-(4-azanyl-3-methyl-phenyl)-1,4-diazepan-1-yl]propyl-trimethyl-azanium chloride Openeye Name: 3-[4-(4-amino-3-methyl-phenyl)-1,4-diazepan-1-yl]propyl-trimethyl-ammonium chloride CAS Name: 3-[4-(4-amino-3-methylphenyl)-1,4-diazepan-1-yl]propyl-trimethylammonium chloride IUPAC Name: 3-[4-(4-amino-3-methylphenyl)-1,4-diazepan-1-yl]propyl-trimethylazanium chloride Traditional Name: 3-[4-(4-amino-3-methyl-phenyl)-1,4-diazepan-1-yl]propyl-trimethyl-ammonium chloride Formula: C18H33ClN4 MolecularWeight: 340.93442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCN(CC2)CCC[N+](C)(C)C)N.[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCN(CC2)CCC[N+](C)(C)C)N.[Cl-]

InChI

InChI=1S/C18H33N4.ClH/c1-16-15-17(7-8-18(16)19)21-11-5-9-20(12-13-21)10-6-14-22(2,3)4;/h7-8,15H,5-6,9-14,19H2,1-4H3;1H/q+1;/p-1