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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C27H31N5O/c1-19(2)32-18-20(16-28-32)17-31-12-10-21(11-13-31)27(33)29-24-8-5-7-22(14-24)26-15-23-6-3-4-9-25(23)30-26/h3-9,14-16,18-19,21,30H,10-13,17H2,1-2H3,(H,29,33)/p+1