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

Systemtic Name: 1-[(3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-N,N-diethyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-N,N-diethyl-triazole-4-carboxamide CAS Name: 1-[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-N,N-diethyl-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-N,N-diethyltriazole-4-carboxamide Traditional Name: 1-[(3S)-1-(3-ethoxy-4-methoxy-benzyl)piperidin-1-ium-3-yl]-N,N-diethyl-triazole-4-carboxamide Formula: C22H34N5O3+ MolecularWeight: 416.53706

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC3=CC(=C(C=C3)OC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O3/c1-5-26(6-2)22(28)19-16-27(24-23-19)18-9-8-12-25(15-18)14-17-10-11-20(29-4)21(13-17)30-7-3/h10-11,13,16,18H,5-9,12,14-15H2,1-4H3/p+1/t18-/m0/s1