(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1-ethyl-4-pyrazolyl)methyl]-N-[3-(1H-indol-2-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C26H30N5O+ MolecularWeight: 428.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C26H29N5O/c1-2-31-17-19(15-27-31)16-30-12-6-9-22(18-30)26(32)28-23-10-5-8-20(13-23)25-14-21-7-3-4-11-24(21)29-25/h3-5,7-8,10-11,13-15,17,22,29H,2,6,9,12,16,18H2,1H3,(H,28,32)/p+1/t22-/m0/s1