N-cyclopropyl-2-[4-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[4-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C22H30N5O2S+ MolecularWeight: 428.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O2S/c1-16-19(13-17-5-3-2-4-6-17)25-22(23-16)30-15-21(29)27-11-9-26(10-12-27)14-20(28)24-18-7-8-18/h2-6,18H,7-15H2,1H3,(H,23,25)(H,24,28)/p+1