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

Systemtic Name: N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C25H28N5O+ MolecularWeight: 414.52272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C25H27N5O/c1-29-16-18(15-26-29)17-30-11-9-19(10-12-30)25(31)27-22-7-4-6-20(13-22)24-14-21-5-2-3-8-23(21)28-24/h2-8,13-16,19,28H,9-12,17H2,1H3,(H,27,31)/p+1