4-(7-chloranylquinolin-4-yl)-N-[2-(cyclopropylmethyl)-1-oxidanylidene-azepan-1-ium-3-yl]piperazine-1-carboxamide

Systemtic Name: 4-(7-chloranylquinolin-4-yl)-N-[2-(cyclopropylmethyl)-1-oxidanylidene-azepan-1-ium-3-yl]piperazine-1-carboxamide Openeye Name: 4-(7-chloro-4-quinolyl)-N-[2-(cyclopropylmethyl)-1-oxo-azepan-1-ium-3-yl]piperazine-1-carboxamide CAS Name: 4-(7-chloro-4-quinolinyl)-N-[2-(cyclopropylmethyl)-1-oxo-3-azepan-1-iumyl]-1-piperazinecarboxamide IUPAC Name: 4-(7-chloroquinolin-4-yl)-N-[2-(cyclopropylmethyl)-1-oxoazepan-1-ium-3-yl]piperazine-1-carboxamide Traditional Name: 4-(7-chloro-4-quinolyl)-N-[2-(cyclopropylmethyl)-1-keto-azepan-1-ium-3-yl]piperazine-1-carboxamide Formula: C24H31ClN5O2+ MolecularWeight: 456.98824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=O)C(C(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)CC5CC5

Isomeric SMILES

C1CC[N+](=O)C(C(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)CC5CC5

InChI

InChI=1S/C24H30ClN5O2/c25-18-6-7-19-21(16-18)26-9-8-22(19)28-11-13-29(14-12-28)24(31)27-20-3-1-2-10-30(32)23(20)15-17-4-5-17/h6-9,16-17,20,23H,1-5,10-15H2/p+1