N-(2-methyl-6-propan-2-yl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C21H30N4O+2 MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H28N4O/c1-16(2)18-8-6-7-17(3)21(18)23-20(26)15-24-11-13-25(14-12-24)19-9-4-5-10-22-19/h4-10,16H,11-15H2,1-3H3,(H,23,26)/p+2