N-[4-methyl-1-oxidanylidene-1-[[3-oxidanyl-1-(phenylcarbonyl)azepan-1-ium-4-yl]amino]pentan-2-yl]-1,3-benzodioxole-2-carboxamide

Systemtic Name: N-[4-methyl-1-oxidanylidene-1-[[3-oxidanyl-1-(phenylcarbonyl)azepan-1-ium-4-yl]amino]pentan-2-yl]-1,3-benzodioxole-2-carboxamide Openeye Name: N-[1-[(1-benzoyl-3-hydroxy-azepan-1-ium-4-yl)carbamoyl]-3-methyl-butyl]-1,3-benzodioxole-2-carboxamide CAS Name: N-[1-[(1-benzoyl-3-hydroxy-4-azepan-1-iumyl)amino]-4-methyl-1-oxopentan-2-yl]-1,3-benzodioxole-2-carboxamide IUPAC Name: N-[1-[(1-benzoyl-3-hydroxyazepan-1-ium-4-yl)amino]-4-methyl-1-oxopentan-2-yl]-1,3-benzodioxole-2-carboxamide Traditional Name: N-[1-[(1-benzoyl-3-hydroxy-azepan-1-ium-4-yl)carbamoyl]-3-methyl-butyl]-1,3-benzodioxole-2-carboxamide Formula: C27H34N3O6+ MolecularWeight: 496.57536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCC[NH+](CC1O)C(=O)C2=CC=CC=C2)NC(=O)C3OC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CC(C(=O)NC1CCC[NH+](CC1O)C(=O)C2=CC=CC=C2)NC(=O)C3OC4=CC=CC=C4O3

InChI

InChI=1S/C27H33N3O6/c1-17(2)15-20(29-25(33)27-35-22-12-6-7-13-23(22)36-27)24(32)28-19-11-8-14-30(16-21(19)31)26(34)18-9-4-3-5-10-18/h3-7,9-10,12-13,17,19-21,27,31H,8,11,14-16H2,1-2H3,(H,28,32)(H,29,33)/p+1