1-naphthalen-2-ylsulfonyl-4-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium

Systemtic Name: 1-naphthalen-2-ylsulfonyl-4-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(2-naphthylsulfonyl)-4-[(1-propyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(2-naphthalenylsulfonyl)-4-[(1-propyl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-(2-naphthylsulfonyl)-4-[(1-propyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C19H25N6O2S+ MolecularWeight: 401.5058

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCN1C(=NN=N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C19H24N6O2S/c1-2-9-25-19(20-21-22-25)15-23-10-12-24(13-11-23)28(26,27)18-8-7-16-5-3-4-6-17(16)14-18/h3-8,14H,2,9-13,15H2,1H3/p+1