[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: [4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: [4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazino]-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C24H25ClN5O3+ MolecularWeight: 466.94

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C5C=CC(=CC5=[NH+]C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C5C=CC(=CC5=[NH+]C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H24ClN5O3/c25-18-4-5-19-20(16-18)26-8-7-21(19)28-11-13-29(14-12-28)24(31)17-3-6-22(23(15-17)30(32)33)27-9-1-2-10-27/h3-8,15-16H,1-2,9-14H2/p+1