methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-isopropylphenyl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: methyl-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (4-isopropylbenzyl)-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-methyl-ammonium Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

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