tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(2-ethoxyethyl)-2-(phenylmethyl)piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-4-(2-ethoxyethyl)-2-(phenylmethyl)piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-2-benzyl-4-(2-ethoxyethyl)piperidin-1-ium-1-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylamino)-4-(2-ethoxyethyl)-2-(phenylmethyl)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(1H-benzimidazol-2-ylamino)-2-benzyl-4-(2-ethoxyethyl)piperidin-1-ium-1-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylamino)-2-benzyl-4-(2-ethoxyethyl)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C28H39N4O3+ MolecularWeight: 479.63426

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC1CC[N+](C(C1)CC2=CC=CC=C2)(C(=O)OC(C)(C)C)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOCCC1CC[N+](C(C1)CC2=CC=CC=C2)(C(=O)OC(C)(C)C)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C28H39N4O3/c1-5-34-18-16-22-15-17-32(27(33)35-28(2,3)4,23(20-22)19-21-11-7-6-8-12-21)31-26-29-24-13-9-10-14-25(24)30-26/h6-14,22-23H,5,15-20H2,1-4H3,(H2,29,30,31)/q+1