methyl (1S)-4-(3-methylbutyl)-3-oxidanylidene-8-(1H-pyrazol-4-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-4-(3-methylbutyl)-3-oxidanylidene-8-(1H-pyrazol-4-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-isopentyl-3-oxo-8-(1H-pyrazol-4-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-4-(3-methylbutyl)-3-oxo-8-(1H-pyrazol-4-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-(3-methylbutyl)-3-oxo-8-(1H-pyrazol-4-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-isoamyl-3-keto-8-(1H-pyrazol-4-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C19H31N4O3+ MolecularWeight: 363.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)CC(C12CC[NH+](CC2)CC3=CNN=C3)C(=O)OC

Isomeric SMILES

CC(C)CCN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=CNN=C3)C(=O)OC

InChI

InChI=1S/C19H30N4O3/c1-14(2)4-7-23-17(24)10-16(18(25)26-3)19(23)5-8-22(9-6-19)13-15-11-20-21-12-15/h11-12,14,16H,4-10,13H2,1-3H3,(H,20,21)/p+1/t16-/m1/s1