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

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(1-methyl-2-benzimidazolyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-ol Formula: C20H32N4O+2 MolecularWeight: 344.49428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C[NH+]3CCC(C(C3)O)[NH+]4CCCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C[NH+]3CC[C@H]([C@@H](C3)O)[NH+]4CCCCCC4

InChI

InChI=1S/C20H30N4O/c1-22-17-9-5-4-8-16(17)21-20(22)15-23-13-10-18(19(25)14-23)24-11-6-2-3-7-12-24/h4-5,8-9,18-19,25H,2-3,6-7,10-15H2,1H3/p+2/t18-,19-/m1/s1