N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1,2,4-triazol-1-yl)propanamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1,2,4-triazol-1-yl)propionamide Formula: C18H26N5O+ MolecularWeight: 328.43194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCN3C=NC=N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCN3C=NC=N3

InChI

InChI=1S/C18H25N5O/c24-18(9-12-23-15-19-14-20-23)21-17-7-4-10-22(13-17)11-8-16-5-2-1-3-6-16/h1-3,5-6,14-15,17H,4,7-13H2,(H,21,24)/p+1/t17-/m0/s1