ethyl (3S)-1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(9-ethyl-3-carbazolyl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[(9-ethylcarbazol-3-yl)amino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C[NH+]3CCCC(C3)C(=O)OCC)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C[NH+]3CCC[C@@H](C3)C(=O)OCC)C4=CC=CC=C41

InChI

InChI=1S/C24H29N3O3/c1-3-27-21-10-6-5-9-19(21)20-14-18(11-12-22(20)27)25-23(28)16-26-13-7-8-17(15-26)24(29)30-4-2/h5-6,9-12,14,17H,3-4,7-8,13,15-16H2,1-2H3,(H,25,28)/p+1/t17-/m0/s1