1-(1,3-benzodioxol-5-ylmethyl)-4-(4-propoxynaphthalen-1-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-propoxynaphthalen-1-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-propoxy-1-naphthyl)sulfonyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-propoxy-1-naphthalenyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-ium Traditional Name: 1-piperonyl-4-[(4-propoxy-1-naphthyl)sulfonyl]piperazin-1-ium Formula: C25H29N2O5S+ MolecularWeight: 469.57316

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H28N2O5S/c1-2-15-30-22-9-10-25(21-6-4-3-5-20(21)22)33(28,29)27-13-11-26(12-14-27)17-19-7-8-23-24(16-19)32-18-31-23/h3-10,16H,2,11-15,17-18H2,1H3/p+1