2-[4-(4-azanyl-3-methyl-phenyl)-1,4-diazepan-1-yl]ethyl-trimethyl-azanium chloride

Systemtic Name: 2-[4-(4-azanyl-3-methyl-phenyl)-1,4-diazepan-1-yl]ethyl-trimethyl-azanium chloride Openeye Name: 2-[4-(4-amino-3-methyl-phenyl)-1,4-diazepan-1-yl]ethyl-trimethyl-ammonium chloride CAS Name: 2-[4-(4-amino-3-methylphenyl)-1,4-diazepan-1-yl]ethyl-trimethylammonium chloride IUPAC Name: 2-[4-(4-amino-3-methylphenyl)-1,4-diazepan-1-yl]ethyl-trimethylazanium chloride Traditional Name: 2-[4-(4-amino-3-methyl-phenyl)-1,4-diazepan-1-yl]ethyl-trimethyl-ammonium chloride Formula: C17H31ClN4 MolecularWeight: 326.90784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H31N4.ClH/c1-15-14-16(6-7-17(15)18)20-9-5-8-19(10-11-20)12-13-21(2,3)4;/h6-7,14H,5,8-13,18H2,1-4H3;1H/q+1;/p-1