N,N-diethyl-1-[[(3S)-1-(quinolin-6-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N,N-diethyl-1-[[(3S)-1-(quinolin-6-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[[(3S)-1-(6-quinolylmethyl)piperidin-1-ium-3-yl]methyl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[[(3S)-1-(6-quinolinylmethyl)-3-piperidin-1-iumyl]methyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[[(3S)-1-(quinolin-6-ylmethyl)piperidin-1-ium-3-yl]methyl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[[(3S)-1-(6-quinolylmethyl)piperidin-1-ium-3-yl]methyl]triazole-4-carboxamide Formula: C23H31N6O+ MolecularWeight: 407.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)CC2CCC[NH+](C2)CC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)C[C@H]2CCC[NH+](C2)CC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C23H30N6O/c1-3-28(4-2)23(30)22-17-29(26-25-22)16-19-7-6-12-27(15-19)14-18-9-10-21-20(13-18)8-5-11-24-21/h5,8-11,13,17,19H,3-4,6-7,12,14-16H2,1-2H3/p+1/t19-/m0/s1