4-(4-phenylpiperazin-1-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-(4-phenylpiperazin-1-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-(4-phenylpiperazin-1-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-(4-phenyl-1-piperazinyl)-3-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-(4-phenylpiperazin-1-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-(4-phenylpiperazino)-3-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C3=CC=CC=C3OC2=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C3=CC=CC=C3OC2=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H27N3O2/c28-24-21(18-25-12-6-7-13-25)23(20-10-4-5-11-22(20)29-24)27-16-14-26(15-17-27)19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2/p+1