2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylbenzo[f]chromen-3-one

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylbenzo[f]chromen-3-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)benzo[f]chromen-3-one CAS Name: 2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)benzo[f]chromen-3-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)benzo[f]chromen-3-one Formula: C25H23N2O3+ MolecularWeight: 399.46172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O

InChI

InChI=1S/C25H22N2O3/c28-24(27-14-12-26(13-15-27)17-18-6-2-1-3-7-18)22-16-21-20-9-5-4-8-19(20)10-11-23(21)30-25(22)29/h1-11,16H,12-15,17H2/p+1