N,N-diethyl-1-[(3S)-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N,N-diethyl-1-[(3S)-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[(3S)-1-(8-quinolylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[(3S)-1-(8-quinolinylmethyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[(3S)-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[(3S)-1-(8-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=CC4=C3N=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H28N6O/c1-3-27(4-2)22(29)20-16-28(25-24-20)19-11-7-13-26(15-19)14-18-9-5-8-17-10-6-12-23-21(17)18/h5-6,8-10,12,16,19H,3-4,7,11,13-15H2,1-2H3/p+1/t19-/m0/s1