[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(piperidin-1-ium-1-ylmethyl)furan-2-yl]methanone

Systemtic Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[5-(piperidin-1-ium-1-ylmethyl)furan-2-yl]methanone Openeye Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[5-(piperidin-1-ium-1-ylmethyl)-2-furyl]methanone CAS Name: [4-(2-methoxyphenyl)-1-piperazinyl]-[5-(1-piperidin-1-iumylmethyl)-2-furanyl]methanone IUPAC Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[5-(piperidin-1-ium-1-ylmethyl)furan-2-yl]methanone Traditional Name: [4-(2-methoxyphenyl)piperazino]-[5-(piperidin-1-ium-1-ylmethyl)-2-furyl]methanone Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(O3)C[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(O3)C[NH+]4CCCCC4

InChI

InChI=1S/C22H29N3O3/c1-27-20-8-4-3-7-19(20)24-13-15-25(16-14-24)22(26)21-10-9-18(28-21)17-23-11-5-2-6-12-23/h3-4,7-10H,2,5-6,11-17H2,1H3/p+1