[4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(4-methylcyclohexyl)-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H32N2O4/c1-15-5-7-17(8-6-15)22-9-11-23(12-10-22)21(24)16-13-18(25-2)20(27-4)19(14-16)26-3/h13-15,17H,5-12H2,1-4H3/p+1