ethyl (3S)-1-[[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[1-(2-amino-2-oxo-ethyl)indol-3-yl]methyl]-3-benzyl-piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[1-(2-amino-2-oxoethyl)-3-indolyl]methyl]-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[1-(2-amino-2-oxoethyl)indol-3-yl]methyl]-3-benzylpiperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[1-(2-amino-2-keto-ethyl)indol-3-yl]methyl]-3-benzyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CN(C3=CC=CC=C32)CC(=O)N)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CN(C3=CC=CC=C32)CC(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3/c1-2-32-25(31)26(15-20-9-4-3-5-10-20)13-8-14-28(19-26)16-21-17-29(18-24(27)30)23-12-7-6-11-22(21)23/h3-7,9-12,17H,2,8,13-16,18-19H2,1H3,(H2,27,30)/p+1/t26-/m0/s1