N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamide

Systemtic Name: N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamide Openeye Name: N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[(1S)-tetralin-1-yl]acetamide CAS Name: N-methyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide IUPAC Name: N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide Traditional Name: N-methyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-[(1S)-tetralin-1-yl]acetamide Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCC2=CC=CC=C12)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN([C@H]1CCCC2=CC=CC=C12)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O/c1-24(19-9-4-7-17-6-2-3-8-18(17)19)20(27)16-25-12-14-26(15-13-25)21-22-10-5-11-23-21/h2-3,5-6,8,10-11,19H,4,7,9,12-16H2,1H3/p+1/t19-/m0/s1