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

Systemtic Name: N,N-diethyl-1-[[(3S)-1-(1-propylpiperidin-4-yl)piperidin-1-ium-3-yl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[[(3S)-1-(1-propyl-4-piperidyl)piperidin-1-ium-3-yl]methyl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[[(3S)-1-(1-propyl-4-piperidinyl)-3-piperidin-1-iumyl]methyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[[(3S)-1-(1-propylpiperidin-4-yl)piperidin-1-ium-3-yl]methyl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[[(3S)-1-(1-propyl-4-piperidyl)piperidin-1-ium-3-yl]methyl]triazole-4-carboxamide Formula: C21H39N6O+ MolecularWeight: 391.57396

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH+]2CCCC(C2)CN3C=C(N=N3)C(=O)N(CC)CC

Isomeric SMILES

CCCN1CCC(CC1)[NH+]2CCC[C@@H](C2)CN3C=C(N=N3)C(=O)N(CC)CC

InChI

InChI=1S/C21H38N6O/c1-4-11-24-13-9-19(10-14-24)26-12-7-8-18(15-26)16-27-17-20(22-23-27)21(28)25(5-2)6-3/h17-19H,4-16H2,1-3H3/p+1/t18-/m0/s1