(5-methoxyfuran-2-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone

Systemtic Name: (5-methoxyfuran-2-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: (5-methoxy-2-furyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: (5-methoxy-2-furanyl)-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: (5-methoxyfuran-2-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: (5-methoxy-2-furyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CC=C(O4)OC

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CC=C(O4)OC

InChI

InChI=1S/C22H29N3O4/c1-27-19-8-4-3-7-18(19)24-14-12-23(13-15-24)17-6-5-11-25(16-17)22(26)20-9-10-21(28-2)29-20/h3-4,7-10,17H,5-6,11-16H2,1-2H3/p+1/t17-/m0/s1