9-ethyl-3-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]carbazole

Systemtic Name: 9-ethyl-3-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]carbazole Openeye Name: 9-ethyl-3-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]carbazole CAS Name: 9-ethyl-3-[[(3S)-3-(1H-pyrazol-5-yl)-1-piperidin-1-iumyl]methyl]carbazole IUPAC Name: 9-ethyl-3-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]carbazole Traditional Name: 9-ethyl-3-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]carbazole Formula: C23H27N4+ MolecularWeight: 359.48728

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH+]3CCCC(C3)C4=CC=NN4)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3CCC[C@@H](C3)C4=CC=NN4)C5=CC=CC=C51

InChI

InChI=1S/C23H26N4/c1-2-27-22-8-4-3-7-19(22)20-14-17(9-10-23(20)27)15-26-13-5-6-18(16-26)21-11-12-24-25-21/h3-4,7-12,14,18H,2,5-6,13,15-16H2,1H3,(H,24,25)/p+1/t18-/m0/s1