N,N-diethyl-1-[(3S)-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N,N-diethyl-1-[(3S)-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[(3S)-1-(4-quinolylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[(3S)-1-(4-quinolinylmethyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[(3S)-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[(3S)-1-(4-quinolylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC3=CC=NC4=CC=CC=C34

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C22H28N6O/c1-3-27(4-2)22(29)21-16-28(25-24-21)18-8-7-13-26(15-18)14-17-11-12-23-20-10-6-5-9-19(17)20/h5-6,9-12,16,18H,3-4,7-8,13-15H2,1-2H3/p+1/t18-/m0/s1