3-piperazin-4-ium-1-ylsulfonyl-N-propyl-benzamide

Systemtic Name: 3-piperazin-4-ium-1-ylsulfonyl-N-propyl-benzamide Openeye Name: 3-piperazin-4-ium-1-ylsulfonyl-N-propyl-benzamide CAS Name: 3-(1-piperazin-4-iumylsulfonyl)-N-propylbenzamide IUPAC Name: 3-piperazin-4-ium-1-ylsulfonyl-N-propylbenzamide Traditional Name: 3-piperazin-4-ium-1-ylsulfonyl-N-propyl-benzamide Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C14H21N3O3S/c1-2-6-16-14(18)12-4-3-5-13(11-12)21(19,20)17-9-7-15-8-10-17/h3-5,11,15H,2,6-10H2,1H3,(H,16,18)/p+1