N-[(2S)-butan-2-yl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-(4-p-anisylpiperazine-1,4-diium-1-yl)acetamide Formula: C18H31N3O2+2 MolecularWeight: 321.45764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)OC

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H29N3O2/c1-4-15(2)19-18(22)14-21-11-9-20(10-12-21)13-16-5-7-17(23-3)8-6-16/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)/p+2/t15-/m0/s1