[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-[3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-[3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazino]-(3-piperidinosulfonylphenyl)methanone Formula: C25H28ClN4O3S+ MolecularWeight: 500.03282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=C5C=CC(=CC5=[NH+]C=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=C5C=CC(=CC5=[NH+]C=C4)Cl

InChI

InChI=1S/C25H27ClN4O3S/c26-20-7-8-22-23(18-20)27-10-9-24(22)28-13-15-29(16-14-28)25(31)19-5-4-6-21(17-19)34(32,33)30-11-2-1-3-12-30/h4-10,17-18H,1-3,11-16H2/p+1