2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide

Systemtic Name: 2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide Openeye Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-methyl-N-(3-thienylmethyl)acetamide CAS Name: 2-[4-[1-adamantyl(oxo)methyl]-1-piperazin-1-iumyl]-N-methyl-N-(3-thiophenylmethyl)acetamide IUPAC Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide Traditional Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-methyl-N-(3-thenyl)acetamide Formula: C23H34N3O2S+ MolecularWeight: 416.59996

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)C[NH+]2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)C[NH+]2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H33N3O2S/c1-24(14-17-2-7-29-16-17)21(27)15-25-3-5-26(6-4-25)22(28)23-11-18-8-19(12-23)10-20(9-18)13-23/h2,7,16,18-20H,3-6,8-15H2,1H3/p+1