N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

Systemtic Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide Openeye Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]tetralin-6-sulfonamide CAS Name: N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide IUPAC Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide Traditional Name: N-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]tetralin-6-sulfonamide Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NCCC[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NCCC[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H29N5O2S/c27-29(28,20-8-7-18-5-1-2-6-19(18)17-20)24-11-4-12-25-13-15-26(16-14-25)21-22-9-3-10-23-21/h3,7-10,17,24H,1-2,4-6,11-16H2/p+1