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

Systemtic Name: methyl (1S)-8-(1H-indol-3-ylmethyl)-4-(3-methylbutyl)-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-8-(1H-indol-3-ylmethyl)-4-isopentyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-(1H-indol-3-ylmethyl)-4-(3-methylbutyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-(1H-indol-3-ylmethyl)-4-(3-methylbutyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-8-(1H-indol-3-ylmethyl)-4-isoamyl-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C24H34N3O3+ MolecularWeight: 412.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)CC(C12CC[NH+](CC2)CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC(C)CCN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C24H33N3O3/c1-17(2)8-11-27-22(28)14-20(23(29)30-3)24(27)9-12-26(13-10-24)16-18-15-25-21-7-5-4-6-19(18)21/h4-7,15,17,20,25H,8-14,16H2,1-3H3/p+1/t20-/m1/s1