(2-oxidanylchromen-4-ylidene)-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]azanium

Systemtic Name: (2-oxidanylchromen-4-ylidene)-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]azanium Openeye Name: 3-(4-benzylpiperazin-1-ium-1-yl)propyl-(2-hydroxychromen-4-ylidene)ammonium CAS Name: (2-hydroxy-1-benzopyran-4-ylidene)-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]ammonium IUPAC Name: 3-(4-benzylpiperazin-1-ium-1-yl)propyl-(2-hydroxychromen-4-ylidene)azanium Traditional Name: 3-(4-benzylpiperazin-1-ium-1-yl)propyl-(2-hydroxychromen-4-ylidene)ammonium Formula: C23H29N3O2+2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC[NH+]=C2C=C(OC3=CC=CC=C32)O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC[NH+]=C2C=C(OC3=CC=CC=C32)O)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c27-23-17-21(20-9-4-5-10-22(20)28-23)24-11-6-12-25-13-15-26(16-14-25)18-19-7-2-1-3-8-19/h1-5,7-10,17,27H,6,11-16,18H2/p+2