4-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C22H30N4O3/c27-20-15-26(19-8-4-3-7-18(19)23-20)21(28)16-24-13-9-17(10-14-24)22(29)25-11-5-1-2-6-12-25/h3-4,7-8,17H,1-2,5-6,9-16H2,(H,23,27)/p+1