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

Systemtic Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone Openeye Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-(2-methylbenzofuran-5-yl)methanone CAS Name: [(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(2-methyl-5-benzofuranyl)methanone IUPAC Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone Traditional Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-(2-methylbenzofuran-5-yl)methanone Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)C(=O)N3CCCC(C3)[NH+]4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)C(=O)N3CCC[C@@H](C3)[NH+]4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C26H31N3O3/c1-19-16-21-17-20(9-10-24(21)32-19)26(30)29-11-5-6-22(18-29)27-12-14-28(15-13-27)23-7-3-4-8-25(23)31-2/h3-4,7-10,16-17,22H,5-6,11-15,18H2,1-2H3/p+1/t22-/m0/s1