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

Systemtic Name: N-[(2S)-3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]propyl]thiophene-2-carboxamide CAS Name: N-[(2S)-3-methyl-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]propyl]thiophene-2-carboxamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C(C(C)C)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)[C@H](C(C)C)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H29N3O2S/c1-16(2)20(23-21(26)19-9-6-14-28-19)22(27)25-12-10-24(11-13-25)15-18-8-5-4-7-17(18)3/h4-9,14,16,20H,10-13,15H2,1-3H3,(H,23,26)/p+1/t20-/m0/s1