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

Systemtic Name: (3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[3-(1H-indol-2-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C27H32N5O+ MolecularWeight: 442.57588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O/c1-3-32-18-23(19(2)30-32)17-31-13-7-10-22(16-31)27(33)28-24-11-6-9-20(14-24)26-15-21-8-4-5-12-25(21)29-26/h4-6,8-9,11-12,14-15,18,22,29H,3,7,10,13,16-17H2,1-2H3,(H,28,33)/p+1/t22-/m0/s1