(2S)-4-methyl-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-2-phenyl-piperazin-4-ium

Systemtic Name: (2S)-4-methyl-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-2-phenyl-piperazin-4-ium Openeye Name: (2S)-1-[(3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-4-methyl-2-phenyl-piperazin-4-ium CAS Name: (2S)-4-methyl-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-2-phenylpiperazin-4-ium IUPAC Name: (2S)-4-methyl-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-phenylpiperazin-4-ium Traditional Name: (2S)-1-[(3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-4-methyl-2-phenyl-piperazin-4-ium Formula: C23H37N4O2S+ MolecularWeight: 433.63048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)CN2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)CN2CC[NH+](C[C@@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C23H36N4O2S/c1-18(2)11-12-27-21(15-24-23(27)30(28,29)19(3)4)16-26-14-13-25(5)17-22(26)20-9-7-6-8-10-20/h6-10,15,18-19,22H,11-14,16-17H2,1-5H3/p+1/t22-/m1/s1