N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-indole-5-carboxamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-indole-5-carboxamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-indole-5-carboxamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-1H-indole-5-carboxamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-indole-5-carboxamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-indole-5-carboxamide Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)NC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)NC=C4

InChI

InChI=1S/C22H25N3O/c26-22(19-8-9-21-18(15-19)10-12-23-21)24-20-7-4-13-25(16-20)14-11-17-5-2-1-3-6-17/h1-3,5-6,8-10,12,15,20,23H,4,7,11,13-14,16H2,(H,24,26)/p+1/t20-/m0/s1