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

Systemtic Name: 2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(3-isopropylisoxazol-5-yl)acetamide CAS Name: 2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-N-(3-propan-2-yl-5-isoxazolyl)acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(3-isopropylisoxazol-5-yl)acetamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=C1)NC(=O)CN2CCC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NOC(=C1)NC(=O)CN2CCC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O2/c1-16(2)18-13-20(26-22-18)21-19(25)15-24-10-6-9-23(11-12-24)14-17-7-4-3-5-8-17/h3-5,7-8,13,16H,6,9-12,14-15H2,1-2H3,(H,21,25)/p+1