N-phenethyl-1-[1-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-phenethyl-1-[1-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-phenethyl-1-[1-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-4-piperidyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(2R)-1-oxo-2-(1,2,4-triazol-1-yl)propyl]-4-piperidinyl]-N-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: N-phenethyl-1-[1-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-phenethyl-1-[1-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-4-piperidyl]piperidin-1-ium-4-carboxamide Formula: C24H35N6O2+ MolecularWeight: 439.5737

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3)N4C=NC=N4

Isomeric SMILES

C[C@H](C(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3)N4C=NC=N4

InChI

InChI=1S/C24H34N6O2/c1-19(30-18-25-17-27-30)24(32)29-15-10-22(11-16-29)28-13-8-21(9-14-28)23(31)26-12-7-20-5-3-2-4-6-20/h2-6,17-19,21-22H,7-16H2,1H3,(H,26,31)/p+1/t19-/m1/s1