N-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-oxidanylidene-azepan-1-ium-1-yl]-4-(7-chloranylquinolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-oxidanylidene-azepan-1-ium-1-yl]-4-(7-chloranylquinolin-4-yl)piperazine-1-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-2-oxo-azepan-1-ium-1-yl]-4-(7-chloro-4-quinolyl)piperazine-1-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-2-oxo-1-azepan-1-iumyl]-4-(7-chloro-4-quinolinyl)-1-piperazinecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)-2-oxoazepan-1-ium-1-yl]-4-(7-chloroquinolin-4-yl)piperazine-1-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-2-keto-azepan-1-ium-1-yl]-4-(7-chloro-4-quinolyl)piperazine-1-carboxamide Formula: C22H28ClN6O3+ MolecularWeight: 459.94912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)[N+](CC1)(CC(=O)N)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

C1CCC(=O)[N+](CC1)(CC(=O)N)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C22H27ClN6O3/c23-16-5-6-17-18(14-16)25-8-7-19(17)27-9-11-28(12-10-27)22(32)26-29(15-20(24)30)13-3-1-2-4-21(29)31/h5-8,14H,1-4,9-13,15H2,(H2-,24,26,30,32)/p+1