(4-imidazol-1-ylphenyl)methyl-[3-(2-oxidanylideneazepan-1-yl)propyl]azanium

Systemtic Name: (4-imidazol-1-ylphenyl)methyl-[3-(2-oxidanylideneazepan-1-yl)propyl]azanium Openeye Name: (4-imidazol-1-ylphenyl)methyl-[3-(2-oxoazepan-1-yl)propyl]ammonium CAS Name: [4-(1-imidazolyl)phenyl]methyl-[3-(2-oxo-1-azepanyl)propyl]ammonium IUPAC Name: (4-imidazol-1-ylphenyl)methyl-[3-(2-oxoazepan-1-yl)propyl]azanium Traditional Name: (4-imidazol-1-ylbenzyl)-[3-(2-ketoazepan-1-yl)propyl]ammonium Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCC[NH2+]CC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CCC[NH2+]CC2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C19H26N4O/c24-19-5-2-1-3-12-22(19)13-4-10-20-15-17-6-8-18(9-7-17)23-14-11-21-16-23/h6-9,11,14,16,20H,1-5,10,12-13,15H2/p+1