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

Systemtic Name: 2-[4-(4-azanyl-3-methyl-phenyl)-1,4-diazepan-1-yl]ethyl-trimethyl-azanium Openeye Name: 2-[4-(4-amino-3-methyl-phenyl)-1,4-diazepan-1-yl]ethyl-trimethyl-ammonium CAS Name: 2-[4-(4-amino-3-methylphenyl)-1,4-diazepan-1-yl]ethyl-trimethylammonium IUPAC Name: 2-[4-(4-amino-3-methylphenyl)-1,4-diazepan-1-yl]ethyl-trimethylazanium Traditional Name: 2-[4-(4-amino-3-methyl-phenyl)-1,4-diazepan-1-yl]ethyl-trimethyl-ammonium Formula: C17H31N4+ MolecularWeight: 291.45484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H31N4/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/q+1