(2S)-N-(2-methyl-6-propan-2-yl-phenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-methyl-6-propan-2-yl-phenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C24H35N3O+2 MolecularWeight: 381.5542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O/c1-18(2)22-12-8-9-19(3)23(22)25-24(28)20(4)27-15-13-26(14-16-27)17-21-10-6-5-7-11-21/h5-12,18,20H,13-17H2,1-4H3,(H,25,28)/p+2/t20-/m0/s1