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

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[1-(3-methoxyphenyl)-4-piperidyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[1-(3-methoxyphenyl)-4-piperidinyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[1-(3-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(=C1)N2CCC(CC2)[NH+]3CCC(C(C3)O)[NH+]4CCCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCC(CC2)[NH+]3CC[C@H]([C@@H](C3)O)[NH+]4CCCCCC4

InChI

InChI=1S/C23H37N3O2/c1-28-21-8-6-7-20(17-21)24-14-9-19(10-15-24)26-16-11-22(23(27)18-26)25-12-4-2-3-5-13-25/h6-8,17,19,22-23,27H,2-5,9-16,18H2,1H3/p+2/t22-,23-/m1/s1