3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-chloranyl-4-phenyl-1H-quinolin-2-one

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-chloranyl-4-phenyl-1H-quinolin-2-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-chloro-4-phenyl-1H-quinolin-2-one CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6-chloro-4-phenyl-1H-quinolin-2-one IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-chloro-4-phenyl-1H-quinolin-2-one Traditional Name: 6-chloro-4-phenyl-3-(4-piperonylpiperazin-4-ium-1-yl)carbostyril Formula: C27H25ClN3O3+ MolecularWeight: 474.9587

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(C5=C(C=CC(=C5)Cl)NC4=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(C5=C(C=CC(=C5)Cl)NC4=O)C6=CC=CC=C6

InChI

InChI=1S/C27H24ClN3O3/c28-20-7-8-22-21(15-20)25(19-4-2-1-3-5-19)26(27(32)29-22)31-12-10-30(11-13-31)16-18-6-9-23-24(14-18)34-17-33-23/h1-9,14-15H,10-13,16-17H2,(H,29,32)/p+1