2-[(3S)-1-[3-(2-ethylbenzimidazol-1-yl)propyl]piperidin-1-ium-3-yl]propan-2-ol

Systemtic Name: 2-[(3S)-1-[3-(2-ethylbenzimidazol-1-yl)propyl]piperidin-1-ium-3-yl]propan-2-ol Openeye Name: 2-[(3S)-1-[3-(2-ethylbenzimidazol-1-yl)propyl]piperidin-1-ium-3-yl]propan-2-ol CAS Name: 2-[(3S)-1-[3-(2-ethyl-1-benzimidazolyl)propyl]-3-piperidin-1-iumyl]-2-propanol IUPAC Name: 2-[(3S)-1-[3-(2-ethylbenzimidazol-1-yl)propyl]piperidin-1-ium-3-yl]propan-2-ol Traditional Name: 2-[(3S)-1-[3-(2-ethylbenzimidazol-1-yl)propyl]piperidin-1-ium-3-yl]propan-2-ol Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CCC[NH+]3CCCC(C3)C(C)(C)O

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1CCC[NH+]3CCC[C@@H](C3)C(C)(C)O

InChI

InChI=1S/C20H31N3O/c1-4-19-21-17-10-5-6-11-18(17)23(19)14-8-13-22-12-7-9-16(15-22)20(2,3)24/h5-6,10-11,16,24H,4,7-9,12-15H2,1-3H3/p+1/t16-/m0/s1