N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H35N3O2+2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H33N3O2/c1-18-7-5-6-10-20(18)22-21(25)17-24-13-11-23(12-14-24)15-16-26-19-8-3-2-4-9-19/h2-4,8-9,18,20H,5-7,10-17H2,1H3,(H,22,25)/p+2/t18-,20-/m0/s1