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

Systemtic Name: methyl (1S)-4-(3-methylbutyl)-3-oxidanylidene-8-(pyridin-4-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-isopentyl-3-oxo-8-(4-pyridylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-4-(3-methylbutyl)-3-oxo-8-(pyridin-4-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-(3-methylbutyl)-3-oxo-8-(pyridin-4-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-isoamyl-3-keto-8-(4-pyridylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C21H32N3O3+ MolecularWeight: 374.49708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3/c1-16(2)6-11-24-19(25)14-18(20(26)27-3)21(24)7-12-23(13-8-21)15-17-4-9-22-10-5-17/h4-5,9-10,16,18H,6-8,11-15H2,1-3H3/p+1/t18-/m1/s1