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

Systemtic Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]methanone CAS Name: [4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]methanone Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c1-5-13(2)18-8-10-19(11-9-18)17(20)14-6-7-15(21-3)16(12-14)22-4/h6-7,12-13H,5,8-11H2,1-4H3/p+1/t13-/m0/s1