methyl (1S)-8-(1H-benzimidazol-2-ylmethyl)-4-(naphthalen-2-ylmethyl)-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-8-(1H-benzimidazol-2-ylmethyl)-4-(naphthalen-2-ylmethyl)-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-8-(1H-benzimidazol-2-ylmethyl)-4-(2-naphthylmethyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-(1H-benzimidazol-2-ylmethyl)-4-(2-naphthalenylmethyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-(1H-benzimidazol-2-ylmethyl)-4-(naphthalen-2-ylmethyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-8-(1H-benzimidazol-2-ylmethyl)-3-keto-4-(2-naphthylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C29H31N4O3+ MolecularWeight: 483.58144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)N(C12CC[NH+](CC2)CC3=NC4=CC=CC=C4N3)CC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)CC3=NC4=CC=CC=C4N3)CC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C29H30N4O3/c1-36-28(35)23-17-27(34)33(18-20-10-11-21-6-2-3-7-22(21)16-20)29(23)12-14-32(15-13-29)19-26-30-24-8-4-5-9-25(24)31-26/h2-11,16,23H,12-15,17-19H2,1H3,(H,30,31)/p+1/t23-/m1/s1