(2R)-N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2R)-N-[(cyclohexylamino)-oxomethyl]-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propionamide Formula: C22H36N4O3+2 MolecularWeight: 404.54624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H34N4O3/c1-18(21(27)24-22(28)23-19-8-4-2-5-9-19)26-14-12-25(13-15-26)16-17-29-20-10-6-3-7-11-20/h3,6-7,10-11,18-19H,2,4-5,8-9,12-17H2,1H3,(H2,23,24,27,28)/p+2/t18-/m1/s1