(2S)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(4-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-N-(4-isopropylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2S)-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-N-p-cumenyl-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propionamide Formula: C24H35N3O2+2 MolecularWeight: 397.5536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O2/c1-19(2)21-9-11-22(12-10-21)25-24(28)20(3)27-15-13-26(14-16-27)17-18-29-23-7-5-4-6-8-23/h4-12,19-20H,13-18H2,1-3H3,(H,25,28)/p+2/t20-/m0/s1