[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C18H29N2O4+ MolecularWeight: 337.43386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4/c1-6-13(2)19-7-9-20(10-8-19)18(21)14-11-15(22-3)17(24-5)16(12-14)23-4/h11-13H,6-10H2,1-5H3/p+1/t13-/m0/s1