1-[(2R)-1-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-ium-1-yl]propan-2-yl]benzimidazole

Systemtic Name: 1-[(2R)-1-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-ium-1-yl]propan-2-yl]benzimidazole Openeye Name: 1-[(1R)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-ium-1-yl]-1-methyl-ethyl]benzimidazole CAS Name: 1-[(2R)-1-[(3S)-3-(1-imidazolylmethyl)-1-piperidin-1-iumyl]propan-2-yl]benzimidazole IUPAC Name: 1-[(2R)-1-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-ium-1-yl]propan-2-yl]benzimidazole Traditional Name: 1-[(1R)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-ium-1-yl]-1-methyl-ethyl]benzimidazole Formula: C19H26N5+ MolecularWeight: 324.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCC(C1)CN2C=CN=C2)N3C=NC4=CC=CC=C43

Isomeric SMILES

C[C@H](C[NH+]1CCC[C@H](C1)CN2C=CN=C2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C19H25N5/c1-16(24-15-21-18-6-2-3-7-19(18)24)11-22-9-4-5-17(12-22)13-23-10-8-20-14-23/h2-3,6-8,10,14-17H,4-5,9,11-13H2,1H3/p+1/t16-,17-/m1/s1