1-[2-[4-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-[4-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-[4-[(3-ethoxy-2-hydroxy-phenyl)methyl]piperazin-1-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[2-[4-[(3-ethoxy-2-hydroxyphenyl)methyl]-1-piperazin-1-iumyl]ethyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[2-[4-[(3-ethoxy-2-hydroxyphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[2-[4-(3-ethoxy-2-hydroxy-benzyl)piperazin-1-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide Formula: C21H33N6O3+ MolecularWeight: 417.52512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)CN2CC[NH+](CC2)CCN3C=C(N=N3)C(=O)NC(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1O)CN2CC[NH+](CC2)CCN3C=C(N=N3)C(=O)NC(C)C

InChI

InChI=1S/C21H32N6O3/c1-4-30-19-7-5-6-17(20(19)28)14-26-10-8-25(9-11-26)12-13-27-15-18(23-24-27)21(29)22-16(2)3/h5-7,15-16,28H,4,8-14H2,1-3H3,(H,22,29)/p+1