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

Systemtic Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-(4-pyridin-1-ium-2-ylpiperazino)-3-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C23H28N4O2+2 MolecularWeight: 392.49402

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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=[NH+]5

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C3=CC=CC=C3OC2=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H26N4O2/c28-23-19(17-25-11-5-6-12-25)22(18-7-1-2-8-20(18)29-23)27-15-13-26(14-16-27)21-9-3-4-10-24-21/h1-4,7-10H,5-6,11-17H2/p+2