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

Systemtic Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1,2,4-triazol-1-yl)propanamide CAS Name: N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(1,2,4-triazol-1-yl)propionamide Formula: C19H28N5O+ MolecularWeight: 342.45852

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CCN3C=NC=N3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CCN3C=NC=N3

InChI

InChI=1S/C19H27N5O/c1-22(19(25)10-13-24-16-20-15-21-24)18-8-5-11-23(14-18)12-9-17-6-3-2-4-7-17/h2-4,6-7,15-16,18H,5,8-14H2,1H3/p+1/t18-/m0/s1