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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C27H31N5O/c1-19(2)32-17-20(15-28-32)16-31-12-6-9-23(18-31)27(33)29-24-10-5-8-21(13-24)26-14-22-7-3-4-11-25(22)30-26/h3-5,7-8,10-11,13-15,17,19,23,30H,6,9,12,16,18H2,1-2H3,(H,29,33)/p+1/t23-/m0/s1