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

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(1-ethylindol-3-yl)methyl]piperidin-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(1-ethylindol-3-yl)methyl]piperidin-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(1-ethyl-3-indolyl)methyl]-3-piperidinol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(1-ethylindol-3-yl)methyl]piperidin-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(1-ethylindol-3-yl)methyl]piperidin-3-ol Formula: C22H34N3O+ MolecularWeight: 356.52486

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)CN3CCC(C(C3)O)[NH+]4CCCCCC4

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)CN3CC[C@H]([C@@H](C3)O)[NH+]4CCCCCC4

InChI

InChI=1S/C22H33N3O/c1-2-24-16-18(19-9-5-6-10-20(19)24)15-23-14-11-21(22(26)17-23)25-12-7-3-4-8-13-25/h5-6,9-10,16,21-22,26H,2-4,7-8,11-15,17H2,1H3/p+1/t21-,22-/m1/s1