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

Systemtic Name: (2S)-N-ethyl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2S)-N-ethyl-2-[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide CAS Name: (2S)-N-ethyl-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2S)-N-ethyl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2S)-N-ethyl-2-[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]propionamide Formula: C19H33N3O+2 MolecularWeight: 319.48482

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCNC(=O)[C@H](C)[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C19H31N3O/c1-5-20-19(23)16(4)22-12-10-21(11-13-22)14-17-6-8-18(9-7-17)15(2)3/h6-9,15-16H,5,10-14H2,1-4H3,(H,20,23)/p+2/t16-/m0/s1