3-[4-(4-methanoylpiperazin-1-yl)sulfonylphenyl]propylazanium

Systemtic Name: 3-[4-(4-methanoylpiperazin-1-yl)sulfonylphenyl]propylazanium Openeye Name: 3-[4-(4-formylpiperazin-1-yl)sulfonylphenyl]propylammonium CAS Name: 3-[4-[(4-formyl-1-piperazinyl)sulfonyl]phenyl]propylammonium IUPAC Name: 3-[4-(4-formylpiperazin-1-yl)sulfonylphenyl]propylazanium Traditional Name: 3-[4-(4-formylpiperazino)sulfonylphenyl]propylammonium Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)S(=O)(=O)C2=CC=C(C=C2)CCC[NH3+]

Isomeric SMILES

C1CN(CCN1C=O)S(=O)(=O)C2=CC=C(C=C2)CCC[NH3+]

InChI

InChI=1S/C14H21N3O3S/c15-7-1-2-13-3-5-14(6-4-13)21(19,20)17-10-8-16(12-18)9-11-17/h3-6,12H,1-2,7-11,15H2/p+1