5-chloranyl-2-(1,4-diazepan-4-ium-1-yl)-7-methyl-1,3-benzoxazole

Systemtic Name: 5-chloranyl-2-(1,4-diazepan-4-ium-1-yl)-7-methyl-1,3-benzoxazole Openeye Name: 5-chloro-2-(1,4-diazepan-4-ium-1-yl)-7-methyl-1,3-benzoxazole CAS Name: 5-chloro-2-(1,4-diazepan-4-ium-1-yl)-7-methyl-1,3-benzoxazole IUPAC Name: 5-chloro-2-(1,4-diazepan-4-ium-1-yl)-7-methyl-1,3-benzoxazole Traditional Name: 5-chloro-2-(1,4-diazepan-4-ium-1-yl)-7-methyl-1,3-benzoxazole Formula: C13H17ClN3O+ MolecularWeight: 266.74658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1OC(=N2)N3CCC[NH2+]CC3)Cl

Isomeric SMILES

CC1=CC(=CC2=C1OC(=N2)N3CCC[NH2+]CC3)Cl

InChI

InChI=1S/C13H16ClN3O/c1-9-7-10(14)8-11-12(9)18-13(16-11)17-5-2-3-15-4-6-17/h7-8,15H,2-6H2,1H3/p+1