N-[2-[4-(4-propan-2-yloxyphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide

Systemtic Name: N-[2-[4-(4-propan-2-yloxyphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide Openeye Name: N-[2-[4-(4-isopropoxybenzoyl)piperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide CAS Name: N-[2-[4-[oxo-(4-propan-2-yloxyphenyl)methyl]-1-piperazin-1-iumyl]ethyl]-4-pyridinecarboxamide IUPAC Name: N-[2-[4-(4-propan-2-yloxybenzoyl)piperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide Traditional Name: N-[2-[4-(4-isopropoxybenzoyl)piperazin-1-ium-1-yl]ethyl]isonicotinamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=NC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=NC=C3

InChI

InChI=1S/C22H28N4O3/c1-17(2)29-20-5-3-19(4-6-20)22(28)26-15-13-25(14-16-26)12-11-24-21(27)18-7-9-23-10-8-18/h3-10,17H,11-16H2,1-2H3,(H,24,27)/p+1