1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-(naphthalen-1-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-(naphthalen-1-ylmethyl)piperazin-4-ium Openeye Name: 1-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-4-(1-naphthylmethyl)piperazin-4-ium CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-(1-naphthalenylmethyl)piperazin-4-ium IUPAC Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-(naphthalen-1-ylmethyl)piperazin-4-ium Traditional Name: 1-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-4-(1-naphthylmethyl)piperazin-4-ium Formula: C25H31N2O2S+ MolecularWeight: 423.59084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H30N2O2S/c1-3-20(2)21-11-13-24(14-12-21)30(28,29)27-17-15-26(16-18-27)19-23-9-6-8-22-7-4-5-10-25(22)23/h4-14,20H,3,15-19H2,1-2H3/p+1/t20-/m0/s1