2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)ethanamide

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)ethanamide Openeye Name: N-(3-isopropylisoxazol-5-yl)-2-[4-(o-tolylmethyl)-1,4-diazepan-4-ium-1-yl]acetamide CAS Name: 2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-(3-propan-2-yl-5-isoxazolyl)acetamide IUPAC Name: 2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide Traditional Name: N-(3-isopropylisoxazol-5-yl)-2-[4-(2-methylbenzyl)-1,4-diazepan-4-ium-1-yl]acetamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCN(CC2)CC(=O)NC3=CC(=NO3)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCCN(CC2)CC(=O)NC3=CC(=NO3)C(C)C

InChI

InChI=1S/C21H30N4O2/c1-16(2)19-13-21(27-23-19)22-20(26)15-25-10-6-9-24(11-12-25)14-18-8-5-4-7-17(18)3/h4-5,7-8,13,16H,6,9-12,14-15H2,1-3H3,(H,22,26)/p+1