(3R,4R)-4-(azepan-1-ium-1-yl)-1-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[1-(2-methoxyphenyl)-4-piperidyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[1-(2-methoxyphenyl)-4-piperidinyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[1-(2-methoxyphenyl)-4-piperidyl]piperidin-1-ium-3-ol Formula: C23H39N3O2+2 MolecularWeight: 389.57466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCC(CC2)[NH+]3CCC(C(C3)O)[NH+]4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCC(CC2)[NH+]3CC[C@H]([C@@H](C3)O)[NH+]4CCCCCC4

InChI

InChI=1S/C23H37N3O2/c1-28-23-9-5-4-8-21(23)25-15-10-19(11-16-25)26-17-12-20(22(27)18-26)24-13-6-2-3-7-14-24/h4-5,8-9,19-20,22,27H,2-3,6-7,10-18H2,1H3/p+2/t20-,22-/m1/s1