3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-yl-amino]-N-(2-piperidin-1-ium-1-ylethyl)propanamide

Systemtic Name: 3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-yl-amino]-N-(2-piperidin-1-ium-1-ylethyl)propanamide Openeye Name: 3-[isopropyl-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2-piperidin-1-ium-1-ylethyl)propanamide CAS Name: 3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-[2-(1-piperidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(2-piperidin-1-ium-1-ylethyl)propanamide Traditional Name: 3-[isopropyl-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2-piperidin-1-ium-1-ylethyl)propionamide Formula: C23H36N5OS+ MolecularWeight: 430.62984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N(CCC(=O)NCC[NH+]3CCCCC3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N(CCC(=O)NCC[NH+]3CCCCC3)C(C)C

InChI

InChI=1S/C23H35N5OS/c1-18(2)28(15-11-22(29)24-12-16-27-13-5-4-6-14-27)23-25-21(26-30-23)17-20-9-7-19(3)8-10-20/h7-10,18H,4-6,11-17H2,1-3H3,(H,24,29)/p+1