N-[(2S)-3-methyl-1-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethylamino]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethylamino]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethylcarbamoyl]propyl]thiophene-2-carboxamide CAS Name: N-[(2S)-3-methyl-1-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethylamino]-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethylcarbamoyl]propyl]thiophene-2-carboxamide Formula: C23H33N4O2S+ MolecularWeight: 429.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C(C(C)C)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)[C@H](C(C)C)NC(=O)C3=CC=CS3

InChI

InChI=1S/C23H32N4O2S/c1-17(2)21(25-22(28)20-8-5-15-30-20)23(29)24-9-10-26-11-13-27(14-12-26)19-7-4-6-18(3)16-19/h4-8,15-17,21H,9-14H2,1-3H3,(H,24,29)(H,25,28)/p+1/t21-/m0/s1