methyl (1S)-8-[(1-methylbenzimidazol-2-yl)methyl]-3-oxidanylidene-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-8-[(1-methylbenzimidazol-2-yl)methyl]-3-oxidanylidene-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-8-[(1-methylbenzimidazol-2-yl)methyl]-3-oxo-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-[(1-methyl-2-benzimidazolyl)methyl]-3-oxo-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-[(1-methylbenzimidazol-2-yl)methyl]-3-oxo-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-3-keto-8-[(1-methylbenzimidazol-2-yl)methyl]-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)CC(C12CC[NH+](CC2)CC3=NC4=CC=CC=C4N3C)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=NC4=CC=CC=C4N3C)C(=O)OC

InChI

InChI=1S/C22H30N4O3/c1-4-11-26-20(27)14-16(21(28)29-3)22(26)9-12-25(13-10-22)15-19-23-17-7-5-6-8-18(17)24(19)2/h5-8,16H,4,9-15H2,1-3H3/p+1/t16-/m1/s1