N-(2-methyl-6-propan-2-yl-phenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H30N3OS+ MolecularWeight: 372.5474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3OS/c1-16(2)19-8-4-6-17(3)21(19)22-20(25)15-24-11-9-23(10-12-24)14-18-7-5-13-26-18/h4-8,13,16H,9-12,14-15H2,1-3H3,(H,22,25)/p+1