1-naphthalen-2-ylsulfonyl-4-(3-phenylpropyl)piperazin-4-ium

Systemtic Name: 1-naphthalen-2-ylsulfonyl-4-(3-phenylpropyl)piperazin-4-ium Openeye Name: 1-(2-naphthylsulfonyl)-4-(3-phenylpropyl)piperazin-4-ium CAS Name: 1-(2-naphthalenylsulfonyl)-4-(3-phenylpropyl)piperazin-4-ium IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-(3-phenylpropyl)piperazin-4-ium Traditional Name: 1-(2-naphthylsulfonyl)-4-(3-phenylpropyl)piperazin-4-ium Formula: C23H27N2O2S+ MolecularWeight: 395.53768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H26N2O2S/c26-28(27,23-13-12-21-10-4-5-11-22(21)19-23)25-17-15-24(16-18-25)14-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-13,19H,6,9,14-18H2/p+1