furan-2-ylmethyl-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-(phenylmethyl)azanium

Systemtic Name: furan-2-ylmethyl-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-furylmethyl)-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxo-propyl]ammonium CAS Name: 2-furanylmethyl-[3-[4-(4-methoxyphenyl)-1-piperazinyl]-3-oxopropyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(furan-2-ylmethyl)-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]azanium Traditional Name: benzyl-(2-furfuryl)-[3-keto-3-[4-(4-methoxyphenyl)piperazino]propyl]ammonium Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC[NH+](CC3=CC=CC=C3)CC4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC[NH+](CC3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C26H31N3O3/c1-31-24-11-9-23(10-12-24)28-15-17-29(18-16-28)26(30)13-14-27(21-25-8-5-19-32-25)20-22-6-3-2-4-7-22/h2-12,19H,13-18,20-21H2,1H3/p+1