ethyl (3S)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(9-ethyl-3-carbazolyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O2/c1-3-25-21-10-6-5-9-19(21)20-14-17(11-12-22(20)25)15-24-13-7-8-18(16-24)23(26)27-4-2/h5-6,9-12,14,18H,3-4,7-8,13,15-16H2,1-2H3/p+1/t18-/m0/s1